2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide

C21H26N4O2 — CID 119872791

IUPAC2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(NC(=O)Cc1ccc(N)cc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H26N4O2/c1-15(23-20(26)13-16-7-9-17(22)10-8-16)21(27)24-18-5-4-6-19(14-18)25-11-2-3-12-25/h4-10,14-15H,2-3,11-13,22H2,1H3,(H,23,26)(H,24,27)
InChIKeyWVXDXUAQGCTTJY-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.55
Rot. Bonds6

About 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide

2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 119872791) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
PubChem CID119872791
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(NC(=O)Cc1ccc(N)cc1)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C21H26N4O2/c1-15(23-20(26)13-16-7-9-17(22)10-8-16)21(27)24-18-5-4-6-19(14-18)25-11-2-3-12-25/h4-10,14-15H,2-3,11-13,22H2,1H3,(H,23,26)(H,24,27)
InChIKeyWVXDXUAQGCTTJY-UHFFFAOYSA-N
XLogP2.55
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
CID 124626431
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120645940
3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
5-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 104684218
2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide
CID 124591805
5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 124591808

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide (CID 119872791) is 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide is CC(NC(=O)Cc1ccc(N)cc1)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is WVXDXUAQGCTTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(23-20(26)13-16-7-9-17(22)10-8-16)21(27)24-18-5-4-6-19(14-18)25-11-2-3-12-25/h4-10,14-15H,2-3,11-13,22H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide?
2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 366.47 g/mol, XLogP of 2.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 119872791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).