2-anilino-N-(3-cyanopropyl)acetamide

C12H15N3O — CID 62666657

IUPAC2-anilino-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)CNc1ccccc1
InChIInChI=1S/C12H15N3O/c13-8-4-5-9-14-12(16)10-15-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,9-10H2,(H,14,16)
InChIKeyWOXFXNSLIAOLJC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.52
Rot. Bonds6

About 2-anilino-N-(3-cyanopropyl)acetamide

2-anilino-N-(3-cyanopropyl)acetamide (PubChem CID 62666657) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-anilino-N-(3-cyanopropyl)acetamide.

Molecular Properties

Compound Name2-anilino-N-(3-cyanopropyl)acetamide
PubChem CID62666657
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-anilino-N-(3-cyanopropyl)acetamide
SMILESN#CCCCNC(=O)CNc1ccccc1
InChIInChI=1S/C12H15N3O/c13-8-4-5-9-14-12(16)10-15-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,9-10H2,(H,14,16)
InChIKeyWOXFXNSLIAOLJC-UHFFFAOYSA-N
XLogP1.52
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-anilino-N-(3-hydroxypropyl)acetamide
CID 60861419
2-anilino-N-(3-propan-2-yloxypropyl)acetamide
CID 39353530
2-(4-cyanoanilino)-N-(3-phenylpropyl)acetamide
CID 31667205
2-anilino-N-(3-cyclopropylpropyl)acetamide
CID 113267062
methyl 4-[(2-anilinoacetyl)amino]butanoate
CID 60671224
N-(3-cyanopropyl)benzamide
CID 62666234
N-(cyanomethyl)-2-(4-phenylanilino)acetamide
CID 62254224
N-(3-cyanopropyl)-3-phenoxypropanamide
CID 62666822
2-anilino-N-[2-oxo-2-(propylamino)ethyl]acetamide;hydrochloride
CID 119689818
5-(anilinomethyl)hex-5-enenitrile
CID 25135473
2-(2-chlorophenyl)-N-(3-cyanopropyl)acetamide
CID 62665870
3-[(2-anilinoacetyl)amino]-N-propan-2-ylpropanamide
CID 112701585

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-(3-cyanopropyl)acetamide?
The IUPAC name of 2-anilino-N-(3-cyanopropyl)acetamide (CID 62666657) is 2-anilino-N-(3-cyanopropyl)acetamide.
What is the SMILES notation for 2-anilino-N-(3-cyanopropyl)acetamide?
The canonical SMILES for 2-anilino-N-(3-cyanopropyl)acetamide is N#CCCCNC(=O)CNc1ccccc1.
What is the InChIKey of 2-anilino-N-(3-cyanopropyl)acetamide?
The InChIKey is WOXFXNSLIAOLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-8-4-5-9-14-12(16)10-15-11-6-2-1-3-7-11/h1-3,6-7,15H,4-5,9-10H2,(H,14,16).
What are the key properties of 2-anilino-N-(3-cyanopropyl)acetamide?
2-anilino-N-(3-cyanopropyl)acetamide has a molecular weight of 217.27 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-(3-cyanopropyl)acetamide is sourced from PubChem (CID 62666657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).