4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide

C16H23N3O2 — CID 106151335

IUPAC4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
SMILESCc1ccc(C(N)C(=O)NCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-4-6-12(7-5-11)15(17)16(21)18-10-2-3-14(20)19-13-8-9-13/h4-7,13,15H,2-3,8-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyPXLNJMATJVJDAM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.17
Rot. Bonds7

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

4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide (PubChem CID 106151335) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
PubChem CID106151335
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide
SMILESCc1ccc(C(N)C(=O)NCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C16H23N3O2/c1-11-4-6-12(7-5-11)15(17)16(21)18-10-2-3-14(20)19-13-8-9-13/h4-7,13,15H,2-3,8-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyPXLNJMATJVJDAM-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide 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-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 120667696
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106151199
2-amino-N-(4-methylcyclohexyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668364
2-amino-N-(2-cyclopropylethyl)-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668581
(2R)-2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]butanamide
CID 79401766
2-amino-N-(3-cyclohexyloxypropyl)-2-(4-methylphenyl)acetamide
CID 120666811
2-amino-2-(4-methylphenyl)-N-(4-methylsulfanylcyclohexyl)acetamide
CID 106312954
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151192
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-5-methylbenzamide
CID 79386137
2-amino-2-(4-methylphenyl)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]acetamide
CID 120669746
2-amino-2-(4-methylphenyl)-N-[3-(2-methylpropoxy)propyl]acetamide
CID 106151202

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide (CID 106151335) is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide is Cc1ccc(C(N)C(=O)NCCCC(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide?
The InChIKey is PXLNJMATJVJDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-4-6-12(7-5-11)15(17)16(21)18-10-2-3-14(20)19-13-8-9-13/h4-7,13,15H,2-3,8-10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide?
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide has a molecular weight of 289.38 g/mol, XLogP of 1.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 106151335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).