3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide

C18H17N3O2 — CID 109040980

IUPAC3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)c1cccc(NCCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-13(22)15-3-2-4-17(11-15)20-10-9-18(23)21-16-7-5-14(12-19)6-8-16/h2-8,11,20H,9-10H2,1H3,(H,21,23)
InChIKeyBLSAHAFZUXNKHB-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.20
Rot. Bonds6

About 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide

3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 109040980) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
PubChem CID109040980
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(=O)c1cccc(NCCC(=O)Nc2ccc(C#N)cc2)c1
InChIInChI=1S/C18H17N3O2/c1-13(22)15-3-2-4-17(11-15)20-10-9-18(23)21-16-7-5-14(12-19)6-8-16/h2-8,11,20H,9-10H2,1H3,(H,21,23)
InChIKeyBLSAHAFZUXNKHB-UHFFFAOYSA-N
XLogP3.20
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[3-(4-cyanoanilino)-3-oxopropyl]amino]benzoate
CID 109041463
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
CID 109034224
N-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
N-(4-cyanophenyl)-3-[3-(trifluoromethyl)anilino]propanamide
CID 109040794
N-(3-acetylphenyl)-3-(3,4-dimethoxyanilino)propanamide
CID 109040586
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
ethyl 4-[3-(3-cyanoanilino)propanoylamino]benzoate
CID 109042440
3-(3-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040576
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
N-(3-acetylphenyl)-2-[(4-cyanophenyl)methylsulfonyl]acetamide
CID 46488526

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide (CID 109040980) is 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide is CC(=O)c1cccc(NCCC(=O)Nc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is BLSAHAFZUXNKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(22)15-3-2-4-17(11-15)20-10-9-18(23)21-16-7-5-14(12-19)6-8-16/h2-8,11,20H,9-10H2,1H3,(H,21,23).
What are the key properties of 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide?
3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide has a molecular weight of 307.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 109040980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).