N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide

C13H15NO3 — CID 51464805

IUPACN-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C13H15NO3/c1-8(9-2-3-9)14-13(15)10-4-5-11-12(6-10)17-7-16-11/h4-6,8-9H,2-3,7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyXDUSWGXUQRVGGK-MRVPVSSYSA-N
MW233.27 g/mol
LogP1.94
Rot. Bonds3

About N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide

N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 51464805) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID51464805
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC NameN-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CC1
InChIInChI=1S/C13H15NO3/c1-8(9-2-3-9)14-13(15)10-4-5-11-12(6-10)17-7-16-11/h4-6,8-9H,2-3,7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyXDUSWGXUQRVGGK-MRVPVSSYSA-N
XLogP1.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-cyclopropylethyl]-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-(1-piperidin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 43523228
N-(1-piperidin-3-ylethyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119474135
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201392
7-chloro-N-[(1S)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide
CID 51465630
N-(3-oxopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 64991581
N-(4-aminopentan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 113376829
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 39854513
N-(2-amino-1-cyclopentylethyl)-1,3-benzodioxole-5-carboxamide
CID 106737541
N-[(1R)-1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-1,3-benzodioxole-5-carboxamide
CID 93198570
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
N-(1-amino-1-hydroxyimino-3-methylbutan-2-yl)-1,3-benzodioxole-5-carboxamide
CID 77038854
N-(1-cyclopropylethyl)-3-hydroxy-4-iodobenzamide
CID 104627471

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide (CID 51464805) is N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide is C[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is XDUSWGXUQRVGGK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(9-2-3-9)14-13(15)10-4-5-11-12(6-10)17-7-16-11/h4-6,8-9H,2-3,7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide?
N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 51464805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).