2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline

C82H91N5O11 — CID 54422968

IUPAC2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc(OCCOc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.Cc1ccc(OC(C)C(=O)NCCCN2CCCCC2)c(C)c1
InChIInChI=1S/C42H40N2O6.C21H21NO3.C19H30N2O2/c1-45-37-17-5-31(6-18-37)43(32-7-19-38(46-2)20-8-32)35-13-25-41(26-14-35)49-29-30-50-42-27-15-36(16-28-42)44(33-9-21-39(47-3)22-10-33)34-11-23-40(48-4)24-12-34;1-23-19-10-4-16(5-11-19)22(17-6-12-20(24-2)13-7-17)18-8-14-21(25-3)15-9-18;1-15-8-9-18(16(2)14-15)23-17(3)19(22)20-10-7-13-21-11-5-4-6-12-21/h5-28H,29-30H2,1-4H3;4-15H,1-3H3;8-9,14,17H,4-7,10-13H2,1-3H3,(H,20,22)
InChIKeyWCBUPMIIKANUEE-UHFFFAOYSA-N
MW1322.65 g/mol
LogP18.36
Rot. Bonds28

About 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline

2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline (PubChem CID 54422968) has the molecular formula C82H91N5O11 and a molecular weight of 1322.65 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline
PubChem CID54422968
Molecular FormulaC82H91N5O11
Molecular Weight1322.65 g/mol
Exact Mass1321.67
IUPAC Name2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline
SMILESCOc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc(OCCOc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.Cc1ccc(OC(C)C(=O)NCCCN2CCCCC2)c(C)c1
InChIInChI=1S/C42H40N2O6.C21H21NO3.C19H30N2O2/c1-45-37-17-5-31(6-18-37)43(32-7-19-38(46-2)20-8-32)35-13-25-41(26-14-35)49-29-30-50-42-27-15-36(16-28-42)44(33-9-21-39(47-3)22-10-33)34-11-23-40(48-4)24-12-34;1-23-19-10-4-16(5-11-19)22(17-6-12-20(24-2)13-7-17)18-8-14-21(25-3)15-9-18;1-15-8-9-18(16(2)14-15)23-17(3)19(22)20-10-7-13-21-11-5-4-6-12-21/h5-28H,29-30H2,1-4H3;4-15H,1-3H3;8-9,14,17H,4-7,10-13H2,1-3H3,(H,20,22)
InChIKeyWCBUPMIIKANUEE-UHFFFAOYSA-N
XLogP18.36
TPSA134.36 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.65
LogP ≤ 518.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline with MolForge

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Related Compounds

6-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)-6-oxopiperazin-2-yl)methoxy)-4-(3-methoxypropyl)-4,4a-dihydro-2H-benzo[b][1,4]oxazin-3(8aH)-one
CID 52950192
(R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-6-(3-methyl-benzyloxymethyl)-piperazin-2-one
CID 44402907
2-(2,4-dimethylphenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
CID 2197251
2-(2,4-dimethylphenoxy)-N-[4-(4-propanoylpiperazin-1-yl)phenyl]acetamide
CID 1091586
N-[[3-[(4-acetamidophenoxy)methyl]-4-methoxyphenyl]methyl]-N-benzyl-2-(4-methylpiperazin-1-yl)acetamide
CID 25246385
Dan 2807
CID 43918
Acetamide, N-(3-(4-(2-methylphenyl)-1-piperazinyl)propyl)-2-(2,4,6-trimethylphenoxy)-, hydrochloride, hydrate (1:2:1)
CID 55553
N-benzyl-2-methyl-2-[4-[2-[4-(phenylcarbamoylamino)phenoxy]ethyl]phenoxy]propanamide
CID 156013488
[2-[[3-[(4-Acetamidophenoxy)methyl]-4-methoxyphenyl]methyl-benzylamino]-2-oxoethyl] acetate
CID 25246375
2-benzyloxy-N-[[3-[4-[(2-benzyloxyacetyl)amino]phenoxy]phenyl]methyl]acetamide
CID 11420847
N-(4-{2-[(2-sec-butoxybenzyl)amino]-2-oxoethoxy}phenyl)propanamide
CID 50958101
2-(2-methylphenoxy)-N-{4-[(1-methyl-4-piperidinyl)oxy]phenyl}acetamide
CID 56700186

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline (CID 54422968) is 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline is COc1ccc(N(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.COc1ccc(N(c2ccc(OC)cc2)c2ccc(OCCOc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)cc1.Cc1ccc(OC(C)C(=O)NCCCN2CCCCC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline?
The InChIKey is WCBUPMIIKANUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40N2O6.C21H21NO3.C19H30N2O2/c1-45-37-17-5-31(6-18-37)43(32-7-19-38(46-2)20-8-32)35-13-25-41(26-14-35)49-29-30-50-42-27-15-36(16-28-42)44(33-9-21-39(47-3)22-10-33)34-11-23-40(48-4)24-12-34;1-23-19-10-4-16(5-11-19)22(17-6-12-20(24-2)13-7-17)18-8-14-21(25-3)15-9-18;1-15-8-9-18(16(2)14-15)23-17(3)19(22)20-10-7-13-21-11-5-4-6-12-21/h5-28H,29-30H2,1-4H3;4-15H,1-3H3;8-9,14,17H,4-7,10-13H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline?
2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline has a molecular weight of 1322.65 g/mol, XLogP of 18.36, 28 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(3-piperidin-1-ylpropyl)propanamide;4-methoxy-N,N-bis(4-methoxyphenyl)aniline;4-methoxy-N-[4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenoxy]ethoxy]phenyl]-N-(4-methoxyphenyl)aniline is sourced from PubChem (CID 54422968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).