N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide

C15H18N2O2 — CID 54997696

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
SMILESN#CCCN(C(=O)CCOc1ccccc1)C1CC1
InChIInChI=1S/C15H18N2O2/c16-10-4-11-17(13-7-8-13)15(18)9-12-19-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-9,11-12H2
InChIKeyUJCATKQVMOAJEV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds7

About N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide

N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide (PubChem CID 54997696) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
PubChem CID54997696
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
SMILESN#CCCN(C(=O)CCOc1ccccc1)C1CC1
InChIInChI=1S/C15H18N2O2/c16-10-4-11-17(13-7-8-13)15(18)9-12-19-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-9,11-12H2
InChIKeyUJCATKQVMOAJEV-UHFFFAOYSA-N
XLogP2.36
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyanoethyl)-N-cyclopropyl-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

4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
N,N-bis(cyanomethyl)-3-phenoxypropanamide
CID 60592055
2-[2-[2-cyanoethyl(cyclopropyl)amino]-2-oxoethyl]benzoic acid
CID 104601447
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
CID 54916242
3-chloro-N-(2-cyanoethyl)-N-cyclopropylpropanamide
CID 61038810
N,N-bis(2-cyanoethyl)-2-(2-phenoxyethoxy)acetamide
CID 51095519
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
N-cyclopropyl-4-[[cyclopropyl(3-phenoxypropanoyl)amino]methyl]benzamide
CID 34179021
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560
N-methyl-N-(4-oxocyclohexyl)-3-phenoxypropanamide
CID 79119469
N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 76870677

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide (CID 54997696) is N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide is N#CCCN(C(=O)CCOc1ccccc1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide?
The InChIKey is UJCATKQVMOAJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-10-4-11-17(13-7-8-13)15(18)9-12-19-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-9,11-12H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide has a molecular weight of 258.32 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide is sourced from PubChem (CID 54997696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).