3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide

C14H19N3O2 — CID 104612970

IUPAC3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(NCCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C14H19N3O2/c1-9(18)12-8-11(4-5-13(12)15)16-7-6-14(19)17-10-2-3-10/h4-5,8,10,16H,2-3,6-7,15H2,1H3,(H,17,19)
InChIKeyVQBLCDUETYYJCT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.55
Rot. Bonds6

About 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide

3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide (PubChem CID 104612970) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
PubChem CID104612970
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide
SMILESCC(=O)c1cc(NCCC(=O)NC2CC2)ccc1N
InChIInChI=1S/C14H19N3O2/c1-9(18)12-8-11(4-5-13(12)15)16-7-6-14(19)17-10-2-3-10/h4-5,8,10,16H,2-3,6-7,15H2,1H3,(H,17,19)
InChIKeyVQBLCDUETYYJCT-UHFFFAOYSA-N
XLogP1.55
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-(3-acetyl-4-aminoanilino)butanamide
CID 113432981
3-(3-bromo-4-methylanilino)-N-cyclopentylpropanamide
CID 109013519
1-[2-amino-5-(2-methylsulfanylethylamino)phenyl]ethanone
CID 104612845
1-[2-amino-5-(3-methylbutylamino)phenyl]ethanone
CID 104612208
3-(4-acetylanilino)-N-cyclohexylpropanamide
CID 109014055
N-cyclopropyl-3-(4-methoxy-3-methylanilino)propanamide
CID 62625952
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467
3-(3-acetylanilino)-N-cyclohexylpropanamide
CID 109014054
1-[2-amino-5-(1-cyclopentylethylamino)phenyl]ethanone
CID 104612853
1-[2-amino-5-(thian-4-ylmethylamino)phenyl]ethanone
CID 113487267
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide?
The IUPAC name of 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide (CID 104612970) is 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide.
What is the SMILES notation for 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide?
The canonical SMILES for 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide is CC(=O)c1cc(NCCC(=O)NC2CC2)ccc1N.
What is the InChIKey of 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide?
The InChIKey is VQBLCDUETYYJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9(18)12-8-11(4-5-13(12)15)16-7-6-14(19)17-10-2-3-10/h4-5,8,10,16H,2-3,6-7,15H2,1H3,(H,17,19).
What are the key properties of 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide?
3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-4-aminoanilino)-N-cyclopropylpropanamide is sourced from PubChem (CID 104612970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).