N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide

C19H29N3O2 — CID 119610794

IUPACN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C19H29N3O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-13-19(24)22-17-5-3-2-4-16(17)12-20/h6-9,16-17H,2-5,10-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyZDLPFUKDQMDCCI-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide

N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide (PubChem CID 119610794) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
PubChem CID119610794
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CCC(=O)NCC(=O)NC2CCCCC2CN)cc1
InChIInChI=1S/C19H29N3O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-13-19(24)22-17-5-3-2-4-16(17)12-20/h6-9,16-17H,2-5,10-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyZDLPFUKDQMDCCI-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide 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

3-(4-methylphenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]propanamide
CID 120575814
N-[2-(aminomethyl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 119604290
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-4-methylpentanamide;hydrochloride
CID 119609925
N-(2-chlorocyclohexyl)-3-(4-methylphenyl)propanamide
CID 114301183
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
N-[2-(aminomethyl)cyclohexyl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 119609666
2-[3-(4-methylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 64812086
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[2-(aminomethyl)cyclohexyl]-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 119611618
N-[2-(aminomethyl)cyclohexyl]-3-naphthalen-2-ylpropanamide
CID 119611998
2-acetamido-N-[2-(aminomethyl)cyclohexyl]acetamide;hydrochloride
CID 119610509

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The IUPAC name of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide (CID 119610794) is N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide is Cc1ccc(CCC(=O)NCC(=O)NC2CCCCC2CN)cc1.
What is the InChIKey of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
The InChIKey is ZDLPFUKDQMDCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14-6-8-15(9-7-14)10-11-18(23)21-13-19(24)22-17-5-3-2-4-16(17)12-20/h6-9,16-17H,2-5,10-13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide?
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide has a molecular weight of 331.46 g/mol, XLogP of 1.68, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 119610794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).