3-acetamido-N-(3-cyanophenyl)propanamide

C12H13N3O2 — CID 2128567

IUPAC3-acetamido-N-(3-cyanophenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H13N3O2/c1-9(16)14-6-5-12(17)15-11-4-2-3-10(7-11)8-13/h2-4,7H,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyDAWVIWOTCKTQBR-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.02
Rot. Bonds4

About 3-acetamido-N-(3-cyanophenyl)propanamide

3-acetamido-N-(3-cyanophenyl)propanamide (PubChem CID 2128567) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 3-acetamido-N-(3-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-cyanophenyl)propanamide
PubChem CID2128567
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name3-acetamido-N-(3-cyanophenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C12H13N3O2/c1-9(16)14-6-5-12(17)15-11-4-2-3-10(7-11)8-13/h2-4,7H,5-6H2,1H3,(H,14,16)(H,15,17)
InChIKeyDAWVIWOTCKTQBR-UHFFFAOYSA-N
XLogP1.02
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-cyanophenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-cyanophenyl)propanamide (CID 2128567) is 3-acetamido-N-(3-cyanophenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-cyanophenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-cyanophenyl)propanamide is CC(=O)NCCC(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 3-acetamido-N-(3-cyanophenyl)propanamide?
The InChIKey is DAWVIWOTCKTQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-9(16)14-6-5-12(17)15-11-4-2-3-10(7-11)8-13/h2-4,7H,5-6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-acetamido-N-(3-cyanophenyl)propanamide?
3-acetamido-N-(3-cyanophenyl)propanamide has a molecular weight of 231.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-cyanophenyl)propanamide is sourced from PubChem (CID 2128567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).