N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide

C23H29N3O2 — CID 23994184

IUPACN-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCCC(CN)C2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-16-12-20(22(27)25-15-18-7-5-6-17(13-18)14-24)10-11-21(16)26-23(28)19-8-3-2-4-9-19/h2-4,8-12,17-18H,5-7,13-15,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyQGRVVMFUOKCDKC-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.74
Rot. Bonds6

About N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide

N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide (PubChem CID 23994184) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide
PubChem CID23994184
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide
SMILESCc1cc(C(=O)NCC2CCCC(CN)C2)ccc1NC(=O)c1ccccc1
InChIInChI=1S/C23H29N3O2/c1-16-12-20(22(27)25-15-18-7-5-6-17(13-18)14-24)10-11-21(16)26-23(28)19-8-3-2-4-9-19/h2-4,8-12,17-18H,5-7,13-15,24H2,1H3,(H,25,27)(H,26,28)
InChIKeyQGRVVMFUOKCDKC-UHFFFAOYSA-N
XLogP3.74
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]-1-benzothiophene-2-carboxamide
CID 23965170
N-[5-[[3-(aminomethyl)cyclohexyl]methylcarbamoyl]-2-methylphenyl]pyridine-3-carboxamide
CID 23912725
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
4-(cyclobutylmethylcarbamoylamino)-3-methylbenzoic acid
CID 61198174
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
N-[2-(aminomethyl)cyclopentyl]-3-benzamido-4-methylbenzamide
CID 119603863
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047
N-[4-[2-(cyclopropylmethylamino)cyclopropyl]-2-methylphenyl]benzamide
CID 90214289
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771
4-[(3-hydroxycyclohexyl)methylamino]-3-methylbenzoic acid
CID 114148427
4-hydrazinyl-3-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63706454

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide?
The IUPAC name of N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide (CID 23994184) is N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide.
What is the SMILES notation for N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide?
The canonical SMILES for N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide is Cc1cc(C(=O)NCC2CCCC(CN)C2)ccc1NC(=O)c1ccccc1.
What is the InChIKey of N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide?
The InChIKey is QGRVVMFUOKCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-12-20(22(27)25-15-18-7-5-6-17(13-18)14-24)10-11-21(16)26-23(28)19-8-3-2-4-9-19/h2-4,8-12,17-18H,5-7,13-15,24H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide?
N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)cyclohexyl]methyl]-4-benzamido-3-methylbenzamide is sourced from PubChem (CID 23994184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).