N-(1-cyanopropyl)-3-phenoxypropanamide

C13H16N2O2 — CID 61119277

IUPACN-(1-cyanopropyl)-3-phenoxypropanamide
SMILESCCC(C#N)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-11(10-14)15-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11H,2,8-9H2,1H3,(H,15,16)
InChIKeyHZAKECCWERNTTJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.87
Rot. Bonds6

About N-(1-cyanopropyl)-3-phenoxypropanamide

N-(1-cyanopropyl)-3-phenoxypropanamide (PubChem CID 61119277) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(1-cyanopropyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(1-cyanopropyl)-3-phenoxypropanamide
PubChem CID61119277
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(1-cyanopropyl)-3-phenoxypropanamide
SMILESCCC(C#N)NC(=O)CCOc1ccccc1
InChIInChI=1S/C13H16N2O2/c1-2-11(10-14)15-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11H,2,8-9H2,1H3,(H,15,16)
InChIKeyHZAKECCWERNTTJ-UHFFFAOYSA-N
XLogP1.87
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-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-[(2R)-1-hydroxybutan-2-yl]-3-phenoxypropanamide
CID 93032349
N-(1-bromopropan-2-yl)-3-phenoxypropanamide
CID 114310403
methyl (2R)-2-(3-phenoxypropanoylamino)propanoate
CID 113257886
N-(4-hydroxybutan-2-yl)-3-phenoxypropanamide
CID 81042132
N-(3-cyanopropyl)-3-phenoxypropanamide
CID 62666822
(2S,3S)-3-methyl-2-(4-phenoxybutanoylamino)pentanoic acid
CID 61138065
N-(1-hydroxy-4-methylpentan-2-yl)-3-phenoxypropanamide
CID 61246616
N-(2-chloro-1-phenylethyl)-3-phenoxypropanamide
CID 114300023
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]-3-phenoxypropanamide
CID 51942664
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
(2S)-3-methyl-2-[3-(3-methylphenoxy)propanoylamino]pentanoic acid
CID 61174129

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopropyl)-3-phenoxypropanamide?
The IUPAC name of N-(1-cyanopropyl)-3-phenoxypropanamide (CID 61119277) is N-(1-cyanopropyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(1-cyanopropyl)-3-phenoxypropanamide?
The canonical SMILES for N-(1-cyanopropyl)-3-phenoxypropanamide is CCC(C#N)NC(=O)CCOc1ccccc1.
What is the InChIKey of N-(1-cyanopropyl)-3-phenoxypropanamide?
The InChIKey is HZAKECCWERNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-11(10-14)15-13(16)8-9-17-12-6-4-3-5-7-12/h3-7,11H,2,8-9H2,1H3,(H,15,16).
What are the key properties of N-(1-cyanopropyl)-3-phenoxypropanamide?
N-(1-cyanopropyl)-3-phenoxypropanamide has a molecular weight of 232.28 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopropyl)-3-phenoxypropanamide is sourced from PubChem (CID 61119277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).