3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide

C15H19N3O — CID 54916242

IUPAC3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
SMILESN#CCCN(C(=O)CC(N)c1ccccc1)C1CC1
InChIInChI=1S/C15H19N3O/c16-9-4-10-18(13-7-8-13)15(19)11-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-8,10-11,17H2
InChIKeyUFYUTFBQKZPNIK-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds6

About 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide

3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide (PubChem CID 54916242) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
PubChem CID54916242
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide
SMILESN#CCCN(C(=O)CC(N)c1ccccc1)C1CC1
InChIInChI=1S/C15H19N3O/c16-9-4-10-18(13-7-8-13)15(19)11-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-8,10-11,17H2
InChIKeyUFYUTFBQKZPNIK-UHFFFAOYSA-N
XLogP1.98
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide 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

3-[(3-amino-3-phenylpropanoyl)-cyclopropylamino]propanoic acid
CID 61161827
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
3-amino-N-(cyclohexylmethyl)-N-cyclopropyl-3-phenylpropanamide;hydrochloride
CID 119950307
2-[2-[2-cyanoethyl(cyclopropyl)amino]-2-oxoethyl]benzoic acid
CID 104601447
3-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119949645
3-amino-N-cyclopropyl-N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 119950141
N-(2-cyanoethyl)-N-cyclopentyl-2-phenylacetamide
CID 96664778
N-(2-cyanoethyl)-N-cyclopropyl-3-phenoxypropanamide
CID 54997696
4-[2-cyanoethyl(cyclopropyl)amino]-4-oxobutanoic acid
CID 61040006
2-cyanoethyl 3-amino-3-phenylpropanoate
CID 139997071
3-amino-N-(1,1-dioxothiolan-3-yl)-3-phenyl-N-prop-2-enylpropanamide
CID 119950451
(E)-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylprop-2-enamide
CID 60587560

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide (CID 54916242) is 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide is N#CCCN(C(=O)CC(N)c1ccccc1)C1CC1.
What is the InChIKey of 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide?
The InChIKey is UFYUTFBQKZPNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-9-4-10-18(13-7-8-13)15(19)11-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-8,10-11,17H2.
What are the key properties of 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide?
3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide has a molecular weight of 257.34 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-phenylpropanamide is sourced from PubChem (CID 54916242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).