N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide

C22H27N3O2 — CID 23851907

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2)ccc1NC(=O)C1CCCC1
InChIInChI=1S/C22H27N3O2/c1-15-12-19(10-11-20(15)25-22(27)18-4-2-3-5-18)21(26)24-14-17-8-6-16(13-23)7-9-17/h6-12,18H,2-5,13-14,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyODLRHIFVMJCZPH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.51
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide

N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide (PubChem CID 23851907) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide
PubChem CID23851907
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide
SMILESCc1cc(C(=O)NCc2ccc(CN)cc2)ccc1NC(=O)C1CCCC1
InChIInChI=1S/C22H27N3O2/c1-15-12-19(10-11-20(15)25-22(27)18-4-2-3-5-18)21(26)24-14-17-8-6-16(13-23)7-9-17/h6-12,18H,2-5,13-14,23H2,1H3,(H,24,26)(H,25,27)
InChIKeyODLRHIFVMJCZPH-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-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

4-(aminomethyl)-N-[2-(cyclopentanecarbonylamino)-5-methylphenyl]benzamide
CID 131902266
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 60535612
N-(4-amino-2-methylphenyl)cycloheptanecarboxamide
CID 55091677
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
N-[(4-chlorophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211678
N-(2-aminoethyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119384153
4-amino-N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]benzamide
CID 119741595
N-[4-(aminomethyl)phenyl]cyclohexanecarboxamide
CID 16775689
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
4-[[2-(cyclohexanecarbonylamino)acetyl]amino]-3-methylbenzoate
CID 6957790
N-[[4-(aminomethyl)phenyl]methyl]-3-[(3-fluorobenzoyl)amino]-4-methylbenzamide
CID 23768618
N-[(3-acetamidophenyl)methyl]-3-(cyclohexanecarbonylamino)benzamide
CID 39575427

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide (CID 23851907) is N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide is Cc1cc(C(=O)NCc2ccc(CN)cc2)ccc1NC(=O)C1CCCC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide?
The InChIKey is ODLRHIFVMJCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-12-19(10-11-20(15)25-22(27)18-4-2-3-5-18)21(26)24-14-17-8-6-16(13-23)7-9-17/h6-12,18H,2-5,13-14,23H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide has a molecular weight of 365.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-(cyclopentanecarbonylamino)-3-methylbenzamide is sourced from PubChem (CID 23851907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).