N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol

C72H69N13O7 — CID 143915689

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol
SMILESC/N=C/c1cccc(O)c1.COc1ccc2cc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5cc(OC)ccc5c4)cc3)ccc2c1.O=C(CCCNc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C35H33N5O4.C29H27N7O2.C8H9NO/c1-43-32-15-11-27-18-24(5-7-29(27)20-32)22-37-39-34(41)4-3-17-36-31-13-9-26(10-14-31)35(42)40-38-23-25-6-8-30-21-33(44-2)16-12-28(30)19-25;37-28(35-33-18-21-16-31-26-8-3-1-6-24(21)26)10-5-15-30-23-13-11-20(12-14-23)29(38)36-34-19-22-17-32-27-9-4-2-7-25(22)27;1-9-6-7-3-2-4-8(10)5-7/h5-16,18-23,36H,3-4,17H2,1-2H3,(H,39,41)(H,40,42);1-4,6-9,11-14,16-19,30-32H,5,10,15H2,(H,35,37)(H,36,38);2-6,10H,1H3/b37-22+,38-23+;33-18+,34-19+;9-6+
InChIKeySRFTYDUZKPJALB-UOMNJWJTSA-N
MW1228.43 g/mol
LogP12.31
Rot. Bonds23

About N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol

N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol (PubChem CID 143915689) has the molecular formula C72H69N13O7 and a molecular weight of 1228.43 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol
PubChem CID143915689
Molecular FormulaC72H69N13O7
Molecular Weight1228.43 g/mol
Exact Mass1227.54
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol
SMILESC/N=C/c1cccc(O)c1.COc1ccc2cc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5cc(OC)ccc5c4)cc3)ccc2c1.O=C(CCCNc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C35H33N5O4.C29H27N7O2.C8H9NO/c1-43-32-15-11-27-18-24(5-7-29(27)20-32)22-37-39-34(41)4-3-17-36-31-13-9-26(10-14-31)35(42)40-38-23-25-6-8-30-21-33(44-2)16-12-28(30)19-25;37-28(35-33-18-21-16-31-26-8-3-1-6-24(21)26)10-5-15-30-23-13-11-20(12-14-23)29(38)36-34-19-22-17-32-27-9-4-2-7-25(22)27;1-9-6-7-3-2-4-8(10)5-7/h5-16,18-23,36H,3-4,17H2,1-2H3,(H,39,41)(H,40,42);1-4,6-9,11-14,16-19,30-32H,5,10,15H2,(H,35,37)(H,36,38);2-6,10H,1H3/b37-22+,38-23+;33-18+,34-19+;9-6+
InChIKeySRFTYDUZKPJALB-UOMNJWJTSA-N
XLogP12.31
TPSA272.53 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds23
Heavy Atoms92
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001228.43
LogP ≤ 512.31
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol with MolForge

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Related Compounds

20-Methoxy-3,13-diazahexacyclo[14.8.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tetracosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-14-one
CID 24971429
4-Methoxy-N-{4-[3-(2-pyrrolidin-1-yl-ethyl)-1H-indol-5-yl]-3,6-dihydro-2H-pyridin-1-yl}-benzamide
CID 44376262
(E)-3-(1H-indol-5-yl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one
CID 53318175
N'-[2-(1H-indol-3-yl)-2-oxoacetyl]-4-[3-[[4-(2-methoxyethyl)phenoxy]methyl]phenyl]benzohydrazide
CID 53328511
3-[[6-[3-[(3-methoxyphenyl)methyl]-1H-indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682158
3-[[6-[3-[(3-methoxyphenyl)methyl]-1H-indol-6-yl]-1H-indol-3-yl]methyl]benzoic acid
CID 90682160
N-[(E)-[5-butyl-2-(4-methoxyphenyl)-1H-indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 136045791
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-[[5-[[(E)-(3,4-dihydroxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]-(4-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 145949733
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-3-[[5-[[(E)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]-(4-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 145951171
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-3-[[5-[[(E)-(2,3-dihydroxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]-(4-methylphenyl)methyl]-1H-indole-5-carboxamide
CID 145953889
3-[(4-methylphenyl)-[5-[[(E)-(2,4,5-trihydroxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]methyl]-N-[(E)-(2,4,5-trihydroxyphenyl)methylideneamino]-1H-indole-5-carboxamide
CID 145955659
3-[(4-methylphenyl)-[5-[[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]methyl]-N-[(E)-(2,4,6-trihydroxyphenyl)methylideneamino]-1H-indole-5-carboxamide
CID 145971995

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol (CID 143915689) is N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol is C/N=C/c1cccc(O)c1.COc1ccc2cc(/C=N/NC(=O)CCCNc3ccc(C(=O)N/N=C/c4ccc5cc(OC)ccc5c4)cc3)ccc2c1.O=C(CCCNc1ccc(C(=O)N/N=C/c2c[nH]c3ccccc23)cc1)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol?
The InChIKey is SRFTYDUZKPJALB-UOMNJWJTSA-N. The full InChI is InChI=1S/C35H33N5O4.C29H27N7O2.C8H9NO/c1-43-32-15-11-27-18-24(5-7-29(27)20-32)22-37-39-34(41)4-3-17-36-31-13-9-26(10-14-31)35(42)40-38-23-25-6-8-30-21-33(44-2)16-12-28(30)19-25;37-28(35-33-18-21-16-31-26-8-3-1-6-24(21)26)10-5-15-30-23-13-11-20(12-14-23)29(38)36-34-19-22-17-32-27-9-4-2-7-25(22)27;1-9-6-7-3-2-4-8(10)5-7/h5-16,18-23,36H,3-4,17H2,1-2H3,(H,39,41)(H,40,42);1-4,6-9,11-14,16-19,30-32H,5,10,15H2,(H,35,37)(H,36,38);2-6,10H,1H3/b37-22+,38-23+;33-18+,34-19+;9-6+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol?
N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol has a molecular weight of 1228.43 g/mol, XLogP of 12.31, 23 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]-4-[[4-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-4-oxobutyl]amino]benzamide;N-[(E)-(6-methoxynaphthalen-2-yl)methylideneamino]-4-[[4-[(2E)-2-[(6-methoxynaphthalen-2-yl)methylidene]hydrazinyl]-4-oxobutyl]amino]benzamide;3-(methyliminomethyl)phenol is sourced from PubChem (CID 143915689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).