3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide

C14H17N3O2 — CID 64891096

IUPAC3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide
SMILESN#CCCN(C(=O)C1(N)CCOC1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c15-8-4-9-17(12-5-2-1-3-6-12)13(18)14(16)7-10-19-11-14/h1-3,5-6H,4,7,9-11,16H2
InChIKeyTUAZLTBTVKSWJW-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide

3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide (PubChem CID 64891096) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide
PubChem CID64891096
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide
SMILESN#CCCN(C(=O)C1(N)CCOC1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c15-8-4-9-17(12-5-2-1-3-6-12)13(18)14(16)7-10-19-11-14/h1-3,5-6H,4,7,9-11,16H2
InChIKeyTUAZLTBTVKSWJW-UHFFFAOYSA-N
XLogP1.05
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide 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-(N-(3-aminooxolane-3-carbonyl)-4-methylanilino)propanoic acid
CID 64891774
N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
CID 79155764
3-amino-N-ethyl-N-(4-fluorophenyl)oxolane-3-carboxamide
CID 64891799
N-(2-cyanoethyl)-3-ethyl-N-phenylpyrrolidine-3-carboxamide
CID 63138343
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
3-amino-N-(4-ethylphenyl)-N-methyloxolane-3-carboxamide
CID 64891208
3-amino-N-(2-anilino-2-oxoethyl)-N-methyloxolane-3-carboxamide
CID 64892555
N-(2-cyanoethyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxo-N-phenylbutanamide
CID 56577984
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
2-(aminomethyl)-N-(2-cyanoethyl)-N-phenylpentanamide
CID 65225792
N-(2-cyanoethyl)-2,5-dihydroxy-N-phenylbenzamide
CID 107721972
3-amino-N-(2-cyanoethyl)-N-phenylthiophene-2-carboxamide
CID 61093926

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide (CID 64891096) is 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide is N#CCCN(C(=O)C1(N)CCOC1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide?
The InChIKey is TUAZLTBTVKSWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-8-4-9-17(12-5-2-1-3-6-12)13(18)14(16)7-10-19-11-14/h1-3,5-6H,4,7,9-11,16H2.
What are the key properties of 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide?
3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 64891096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).