3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide

C18H27N3O2 — CID 120667696

IUPAC3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(C(N)C(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13-7-9-14(10-8-13)17(19)18(23)20-12-11-16(22)21-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIYOTLANIYNWDE-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.95
Rot. Bonds6

About 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide

3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide (PubChem CID 120667696) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
PubChem CID120667696
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
SMILESCc1ccc(C(N)C(=O)NCCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C18H27N3O2/c1-13-7-9-14(10-8-13)17(19)18(23)20-12-11-16(22)21-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12,19H2,1H3,(H,20,23)(H,21,22)
InChIKeyQIYOTLANIYNWDE-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide 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-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
CID 106151335
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668147
(2S)-2-amino-N-[3-(cyclohexylamino)-3-oxopropyl]propanamide;hydrochloride
CID 119299474
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-N-(1-cyclohexylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667022
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120670145
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
2-amino-N-[2-(azepan-1-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 106151650

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide?
The IUPAC name of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide (CID 120667696) is 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide is Cc1ccc(C(N)C(=O)NCCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide?
The InChIKey is QIYOTLANIYNWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-7-9-14(10-8-13)17(19)18(23)20-12-11-16(22)21-15-5-3-2-4-6-15/h7-10,15,17H,2-6,11-12,19H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide?
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide has a molecular weight of 317.43 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide is sourced from PubChem (CID 120667696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).