2-anilino-N-(cyanomethyl)propanamide

C11H13N3O — CID 23467229

IUPAC2-anilino-N-(cyanomethyl)propanamide
SMILESCC(Nc1ccccc1)C(=O)NCC#N
InChIInChI=1S/C11H13N3O/c1-9(11(15)13-8-7-12)14-10-5-3-2-4-6-10/h2-6,9,14H,8H2,1H3,(H,13,15)
InChIKeyHMSAESIHLTVUAI-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.13
Rot. Bonds4

About 2-anilino-N-(cyanomethyl)propanamide

2-anilino-N-(cyanomethyl)propanamide (PubChem CID 23467229) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-anilino-N-(cyanomethyl)propanamide.

Molecular Properties

Compound Name2-anilino-N-(cyanomethyl)propanamide
PubChem CID23467229
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-anilino-N-(cyanomethyl)propanamide
SMILESCC(Nc1ccccc1)C(=O)NCC#N
InChIInChI=1S/C11H13N3O/c1-9(11(15)13-8-7-12)14-10-5-3-2-4-6-10/h2-6,9,14H,8H2,1H3,(H,13,15)
InChIKeyHMSAESIHLTVUAI-UHFFFAOYSA-N
XLogP1.13
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-prop-2-ynylpropanamide
CID 43112793
2-(4-phenylanilino)-N-prop-2-ynylpropanamide
CID 60720749
(2R)-2-anilino-N-[(4-chlorophenyl)methyl]propanamide
CID 25346914
methyl 2-anilinopropanoate
CID 3417283
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
N-(cyanomethyl)-2-hydroxy-2-phenylacetamide
CID 103687126
2-anilinopropanoic acid;hydrochloride
CID 19096756
2-amino-N-(cyanomethyl)-2-phenylacetamide
CID 61253687
2-(3-cyanoanilino)-N-propylpropanamide
CID 43087365
N-(cyanomethyl)-4-methyl-2-phenylpentanamide
CID 173145638
4-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]benzamide
CID 43112981
2-anilinopropanoate
CID 19754798

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(cyanomethyl)propanamide?
The IUPAC name of 2-anilino-N-(cyanomethyl)propanamide (CID 23467229) is 2-anilino-N-(cyanomethyl)propanamide.
What is the SMILES notation for 2-anilino-N-(cyanomethyl)propanamide?
The canonical SMILES for 2-anilino-N-(cyanomethyl)propanamide is CC(Nc1ccccc1)C(=O)NCC#N.
What is the InChIKey of 2-anilino-N-(cyanomethyl)propanamide?
The InChIKey is HMSAESIHLTVUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-9(11(15)13-8-7-12)14-10-5-3-2-4-6-10/h2-6,9,14H,8H2,1H3,(H,13,15).
What are the key properties of 2-anilino-N-(cyanomethyl)propanamide?
2-anilino-N-(cyanomethyl)propanamide has a molecular weight of 203.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(cyanomethyl)propanamide is sourced from PubChem (CID 23467229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).