N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide

C15H20N2O3 — CID 106737541

IUPACN-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
SMILESNCC(NC(=O)c1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C15H20N2O3/c16-8-12(10-3-1-2-4-10)17-15(18)11-5-6-13-14(7-11)20-9-19-13/h5-7,10,12H,1-4,8-9,16H2,(H,17,18)
InChIKeyWUKSROBOVVRCGW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds4

About N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide

N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide (PubChem CID 106737541) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
PubChem CID106737541
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
SMILESNCC(NC(=O)c1ccc2c(c1)OCO2)C1CCCC1
InChIInChI=1S/C15H20N2O3/c16-8-12(10-3-1-2-4-10)17-15(18)11-5-6-13-14(7-11)20-9-19-13/h5-7,10,12H,1-4,8-9,16H2,(H,17,18)
InChIKeyWUKSROBOVVRCGW-UHFFFAOYSA-N
XLogP1.66
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-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

N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106737365
N-(2-amino-1-cyclohexylethyl)-3,4-dichlorobenzamide
CID 81486899
N-(2-amino-1-cyclopropylethyl)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidine-2-carboxamide
CID 119613771
N-(2-amino-1-cyclopropylethyl)-7-bromo-1,3-benzodioxole-5-carboxamide
CID 119617085
N-(2-amino-1-cyclohexylethyl)-2,3-dihydro-1H-indene-5-carboxamide;hydrochloride
CID 119591970
N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51464805
3-[(2-amino-1-cyclohexylethyl)carbamoyl]benzoic acid
CID 122153095
N-(2-amino-1-cyclohexylethyl)-4-(1,3-dithiolan-2-yl)benzamide;hydrochloride
CID 119590390
N-(2-amino-1-cyclohexylethyl)-3-(dimethylamino)benzamide
CID 115309240
N-(2-amino-1-cyclopropylethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 119612892
N-(2-amino-1-cyclopentylethyl)-4-methylsulfanylbenzamide
CID 106737308
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide (CID 106737541) is N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide is NCC(NC(=O)c1ccc2c(c1)OCO2)C1CCCC1.
What is the InChIKey of N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is WUKSROBOVVRCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c16-8-12(10-3-1-2-4-10)17-15(18)11-5-6-13-14(7-11)20-9-19-13/h5-7,10,12H,1-4,8-9,16H2,(H,17,18).
What are the key properties of N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide?
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 106737541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).