3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

C15H21N3O2 — CID 61037277

IUPAC3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H21N3O2/c1-18(10-14(19)17-13-7-8-13)15(20)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,19)
InChIKeyAPNLLONDNSQCMJ-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.94
Rot. Bonds6

About 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 61037277) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID61037277
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C15H21N3O2/c1-18(10-14(19)17-13-7-8-13)15(20)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,19)
InChIKeyAPNLLONDNSQCMJ-UHFFFAOYSA-N
XLogP0.94
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide 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-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
2-(5-amino-2-oxo-1-pyridinyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylacetamide
CID 62815825
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289
1-[(4-aminophenyl)methyl]-3-cyclopropyl-1-methylurea
CID 62699468
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212
4-[3-(4-aminophenyl)propanoyl-methylamino]butanoic acid
CID 115341281
3-(4-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341221
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide
CID 86910139
3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
CID 115341599
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
[1-(cyclopropylamino)-1-oxopropan-2-yl] 3-(4-aminophenyl)propanoate
CID 61315262

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (CID 61037277) is 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)NC1CC1)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is APNLLONDNSQCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(10-14(19)17-13-7-8-13)15(20)9-4-11-2-5-12(16)6-3-11/h2-3,5-6,13H,4,7-10,16H2,1H3,(H,17,19).
What are the key properties of 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 275.35 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 61037277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).