N-(3-cyanopropyl)-3-phenoxypropanamide

C13H16N2O2 — CID 62666822

IUPACN-(3-cyanopropyl)-3-phenoxypropanamide
SMILESN#CCCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C13H16N2O2/c14-9-4-5-10-15-13(16)8-11-17-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8,10-11H2,(H,15,16)
InChIKeyQCKULSOIMAUIQQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.88
Rot. Bonds7

About N-(3-cyanopropyl)-3-phenoxypropanamide

N-(3-cyanopropyl)-3-phenoxypropanamide (PubChem CID 62666822) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(3-cyanopropyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)-3-phenoxypropanamide
PubChem CID62666822
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(3-cyanopropyl)-3-phenoxypropanamide
SMILESN#CCCCNC(=O)CCOc1ccccc1
InChIInChI=1S/C13H16N2O2/c14-9-4-5-10-15-13(16)8-11-17-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8,10-11H2,(H,15,16)
InChIKeyQCKULSOIMAUIQQ-UHFFFAOYSA-N
XLogP1.88
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-cyanopropyl)-3-phenoxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-hydroxy-4-methylpentyl)-3-phenoxypropanamide
CID 103862190
4-(3-phenoxypropylamino)butanenitrile
CID 60696999
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
phenyl N-(3-cyanopropyl)carbamate
CID 55209795
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552
N-(4-azidobutyl)-3-phenoxypropanamide
CID 114182203
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
N-[2-(2-hydroxyethoxy)ethyl]-3-phenoxypropanamide
CID 60654485
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)-3-phenoxypropanamide?
The IUPAC name of N-(3-cyanopropyl)-3-phenoxypropanamide (CID 62666822) is N-(3-cyanopropyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(3-cyanopropyl)-3-phenoxypropanamide?
The canonical SMILES for N-(3-cyanopropyl)-3-phenoxypropanamide is N#CCCCNC(=O)CCOc1ccccc1.
What is the InChIKey of N-(3-cyanopropyl)-3-phenoxypropanamide?
The InChIKey is QCKULSOIMAUIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-9-4-5-10-15-13(16)8-11-17-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8,10-11H2,(H,15,16).
What are the key properties of N-(3-cyanopropyl)-3-phenoxypropanamide?
N-(3-cyanopropyl)-3-phenoxypropanamide has a molecular weight of 232.28 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)-3-phenoxypropanamide is sourced from PubChem (CID 62666822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).