2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine

C146H165N9O24 — CID 159840513

IUPAC2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
SMILESCC/C(=C(/c1ccc(OCC/N=C(\C)N)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.CC/C(=C(/c1ccc(OCCCN2CCCC2)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.CC/C(=C(/c1ccc(OCCN2CCCC2)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.COc1cc(C(C)Oc2ccc(C(=C3CCCCC3)c3ccc(OCCN(C)C)cc3)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C39H44N2O6.C38H42N2O6.C36H39N3O6.C33H40N2O6/c1-5-34(29-12-7-6-8-13-29)39(30-14-18-32(19-15-30)46-25-11-24-40-22-9-10-23-40)31-16-20-33(21-17-31)47-28(2)35-26-37(44-3)38(45-4)27-36(35)41(42)43;1-5-33(28-11-7-6-8-12-28)38(29-13-17-31(18-14-29)45-24-23-39-21-9-10-22-39)30-15-19-32(20-16-30)46-27(2)34-25-36(43-3)37(44-4)26-35(34)40(41)42;1-6-31(26-10-8-7-9-11-26)36(27-12-16-29(17-13-27)44-21-20-38-25(3)37)28-14-18-30(19-15-28)45-24(2)32-22-34(42-4)35(43-5)23-33(32)39(40)41;1-23(29-21-31(38-4)32(39-5)22-30(29)35(36)37)41-28-17-13-26(14-18-28)33(24-9-7-6-8-10-24)25-11-15-27(16-12-25)40-20-19-34(2)3/h6-8,12-21,26-28H,5,9-11,22-25H2,1-4H3;6-8,11-20,25-27H,5,9-10,21-24H2,1-4H3;7-19,22-24H,6,20-21H2,1-5H3,(H2,37,38);11-18,21-23H,6-10,19-20H2,1-5H3/b39-34+;38-33+;36-31+;
InChIKeyNOPRNFUFEGCILO-HPPFEFSSSA-N
MW2429.96 g/mol
LogP32.92
Rot. Bonds55

About 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine

2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine (PubChem CID 159840513) has the molecular formula C146H165N9O24 and a molecular weight of 2429.96 g/mol. Its IUPAC name is 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
PubChem CID159840513
Molecular FormulaC146H165N9O24
Molecular Weight2429.96 g/mol
Exact Mass2428.20
IUPAC Name2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
SMILESCC/C(=C(/c1ccc(OCC/N=C(\C)N)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.CC/C(=C(/c1ccc(OCCCN2CCCC2)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.CC/C(=C(/c1ccc(OCCN2CCCC2)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.COc1cc(C(C)Oc2ccc(C(=C3CCCCC3)c3ccc(OCCN(C)C)cc3)cc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C39H44N2O6.C38H42N2O6.C36H39N3O6.C33H40N2O6/c1-5-34(29-12-7-6-8-13-29)39(30-14-18-32(19-15-30)46-25-11-24-40-22-9-10-23-40)31-16-20-33(21-17-31)47-28(2)35-26-37(44-3)38(45-4)27-36(35)41(42)43;1-5-33(28-11-7-6-8-12-28)38(29-13-17-31(18-14-29)45-24-23-39-21-9-10-22-39)30-15-19-32(20-16-30)46-27(2)34-25-36(43-3)37(44-4)26-35(34)40(41)42;1-6-31(26-10-8-7-9-11-26)36(27-12-16-29(17-13-27)44-21-20-38-25(3)37)28-14-18-30(19-15-28)45-24(2)32-22-34(42-4)35(43-5)23-33(32)39(40)41;1-23(29-21-31(38-4)32(39-5)22-30(29)35(36)37)41-28-17-13-26(14-18-28)33(24-9-7-6-8-10-24)25-11-15-27(16-12-25)40-20-19-34(2)3/h6-8,12-21,26-28H,5,9-11,22-25H2,1-4H3;6-8,11-20,25-27H,5,9-10,21-24H2,1-4H3;7-19,22-24H,6,20-21H2,1-5H3,(H2,37,38);11-18,21-23H,6-10,19-20H2,1-5H3/b39-34+;38-33+;36-31+;
InChIKeyNOPRNFUFEGCILO-HPPFEFSSSA-N
XLogP32.92
TPSA368.34 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds55
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002429.96
LogP ≤ 532.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine with MolForge

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Related Compounds

1-[3-[4-[(E)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenoxy]propyl]pyrrolidine
CID 144608980
2-[4-[cyclohexylidene-[4-[(4,5-dimethoxy-2-nitrophenyl)methoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;4-[cyclohexylidene-[4-[2-(dimethylamino)ethoxy]phenyl]methyl]phenol;4,5-dimethoxy-2-nitrosobenzaldehyde
CID 158214732
1-[3-[4-[(Z)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine
CID 67686022
1-[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl]-4-methylpiperazine
CID 12888164
3-[1,1-bis[4-[2-(azepan-1-yl)ethoxy]phenyl]but-1-en-2-yl]benzoic acid
CID 132566962
2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N-methyl-N-(pyrrolidin-1-ylmethyl)ethanamine
CID 22868482
2-[4-[(E)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 177403376
1-[9-[4-[(E)-1-(4-iodophenyl)-2-phenylbut-1-enyl]phenoxy]nonyl]pyrrolidine
CID 10699116
1-[5-[4-[(E)-1-(4-methoxyphenyl)-2-nitro-2-phenylethenyl]phenoxy]pentyl]pyrrolidine
CID 97301886
[4-[(E)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] acetate
CID 6263876
1-[2-[4-[(Z)-1,2-diphenylpent-2-en-3-yl]phenoxy]ethyl]piperidine
CID 10296016
N,N-dimethyl-2-[4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenoxy]ethanamine
CID 3037296

Frequently Asked Questions

What is the IUPAC name of 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine?
The IUPAC name of 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine (CID 159840513) is 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine.
What is the SMILES notation for 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine?
The canonical SMILES for 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine is CC/C(=C(/c1ccc(OCC/N=C(\C)N)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.CC/C(=C(/c1ccc(OCCCN2CCCC2)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.CC/C(=C(/c1ccc(OCCN2CCCC2)cc1)c1ccc(OC(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1)c1ccccc1.COc1cc(C(C)Oc2ccc(C(=C3CCCCC3)c3ccc(OCCN(C)C)cc3)cc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine?
The InChIKey is NOPRNFUFEGCILO-HPPFEFSSSA-N. The full InChI is InChI=1S/C39H44N2O6.C38H42N2O6.C36H39N3O6.C33H40N2O6/c1-5-34(29-12-7-6-8-13-29)39(30-14-18-32(19-15-30)46-25-11-24-40-22-9-10-23-40)31-16-20-33(21-17-31)47-28(2)35-26-37(44-3)38(45-4)27-36(35)41(42)43;1-5-33(28-11-7-6-8-12-28)38(29-13-17-31(18-14-29)45-24-23-39-21-9-10-22-39)30-15-19-32(20-16-30)46-27(2)34-25-36(43-3)37(44-4)26-35(34)40(41)42;1-6-31(26-10-8-7-9-11-26)36(27-12-16-29(17-13-27)44-21-20-38-25(3)37)28-14-18-30(19-15-28)45-24(2)32-22-34(42-4)35(43-5)23-33(32)39(40)41;1-23(29-21-31(38-4)32(39-5)22-30(29)35(36)37)41-28-17-13-26(14-18-28)33(24-9-7-6-8-10-24)25-11-15-27(16-12-25)40-20-19-34(2)3/h6-8,12-21,26-28H,5,9-11,22-25H2,1-4H3;6-8,11-20,25-27H,5,9-10,21-24H2,1-4H3;7-19,22-24H,6,20-21H2,1-5H3,(H2,37,38);11-18,21-23H,6-10,19-20H2,1-5H3/b39-34+;38-33+;36-31+;.
What are the key properties of 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine?
2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine has a molecular weight of 2429.96 g/mol, XLogP of 32.92, 55 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[cyclohexylidene-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]methyl]phenoxy]-N,N-dimethylethanamine;N'-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]ethanimidamide;1-[2-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]ethyl]pyrrolidine;1-[3-[4-[(E)-1-[4-[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phenyl]-2-phenylbut-1-enyl]phenoxy]propyl]pyrrolidine is sourced from PubChem (CID 159840513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).