N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide

C30H32N4O2 — CID 23792446

IUPACN-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2CN(Cc2cccc(CN)c2)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C30H32N4O2/c31-18-22-13-15-25(16-14-22)29(35)33-28-12-5-4-11-27(28)21-34(30(36)26-9-2-1-3-10-26)20-24-8-6-7-23(17-24)19-32/h4-8,11-17,26H,1-3,9-10,19-21,32H2,(H,33,35)
InChIKeyBZIYZBUGMIZMJM-UHFFFAOYSA-N
MW480.61 g/mol
LogP5.38
Rot. Bonds8

About N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide

N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide (PubChem CID 23792446) has the molecular formula C30H32N4O2 and a molecular weight of 480.61 g/mol. Its IUPAC name is N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide
PubChem CID23792446
Molecular FormulaC30H32N4O2
Molecular Weight480.61 g/mol
Exact Mass480.25
IUPAC NameN-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)Nc2ccccc2CN(Cc2cccc(CN)c2)C(=O)C2CCCCC2)cc1
InChIInChI=1S/C30H32N4O2/c31-18-22-13-15-25(16-14-22)29(35)33-28-12-5-4-11-27(28)21-34(30(36)26-9-2-1-3-10-26)20-24-8-6-7-23(17-24)19-32/h4-8,11-17,26H,1-3,9-10,19-21,32H2,(H,33,35)
InChIKeyBZIYZBUGMIZMJM-UHFFFAOYSA-N
XLogP5.38
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.61
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide with MolForge

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Related Compounds

N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23820529
N-[2-[[[3-(aminomethyl)phenyl]methyl-(3-fluorobenzoyl)amino]methyl]phenyl]-3-fluorobenzamide
CID 23962180
N-[[3-(aminomethyl)phenyl]methyl]-N-[[2-(cyclohexanecarbonylamino)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 23762640
N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
CID 23880381
N,N-dibenzylcyclohexanecarboxamide
CID 1371794
N-[2-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]-3-methoxybenzamide
CID 23768544
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-4-ethylbenzamide
CID 18158678
N-[[2-(aminomethyl)phenyl]methyl]-N-ethylcyclohexanecarboxamide
CID 60921545
4-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-(2-phenylethyl)benzimidazol-2-yl]benzamide
CID 44588918
N-(3-amino-2,2-dimethylpropyl)-4-cyano-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]benzamide
CID 23986790
N-(2-aminoethyl)-N-benzylcycloheptanecarboxamide
CID 62585571

Frequently Asked Questions

What is the IUPAC name of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide?
The IUPAC name of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide (CID 23792446) is N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide.
What is the SMILES notation for N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide?
The canonical SMILES for N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide is N#Cc1ccc(C(=O)Nc2ccccc2CN(Cc2cccc(CN)c2)C(=O)C2CCCCC2)cc1.
What is the InChIKey of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide?
The InChIKey is BZIYZBUGMIZMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O2/c31-18-22-13-15-25(16-14-22)29(35)33-28-12-5-4-11-27(28)21-34(30(36)26-9-2-1-3-10-26)20-24-8-6-7-23(17-24)19-32/h4-8,11-17,26H,1-3,9-10,19-21,32H2,(H,33,35).
What are the key properties of N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide?
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide has a molecular weight of 480.61 g/mol, XLogP of 5.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide is sourced from PubChem (CID 23792446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).