2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide

C16H21NO4 — CID 47079469

IUPAC2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
SMILESCC(OCC1CC1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C16H21NO4/c1-10(19-9-11-4-5-11)15(18)17-12-6-7-13-14(8-12)21-16(2,3)20-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyQQNVGAYIXCLVQC-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.95
Rot. Bonds5

About 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide

2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide (PubChem CID 47079469) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
PubChem CID47079469
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
SMILESCC(OCC1CC1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2
InChIInChI=1S/C16H21NO4/c1-10(19-9-11-4-5-11)15(18)17-12-6-7-13-14(8-12)21-16(2,3)20-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18)
InChIKeyQQNVGAYIXCLVQC-UHFFFAOYSA-N
XLogP2.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide 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

2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide
CID 43700348
4-[2-(cyclopropylmethoxy)propanoylamino]-N-methylbenzamide
CID 47422905
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-methylpentanamide
CID 61155842
N-(cyclopropylmethyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 43676340
5-[2-(cyclopropylmethoxy)propanoylamino]-2-fluoro-N-methylbenzamide
CID 49176640
(2R)-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-prop-2-enoxypropanamide
CID 94208875
(2R)-2-(cyclopropylmethoxy)-N-[4-[[(2R)-2-(cyclopropylmethoxy)propanoyl]amino]-2-ethylquinolin-6-yl]propanamide
CID 97342418
(2S)-2-amino-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)hexanamide
CID 103950113
(2S)-N-(6-amino-3-pyridinyl)-2-(cyclopropylmethoxy)propanamide
CID 99776072
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-(cyclopropylmethoxy)propanamide
CID 48500260
N-(4-cyclopentylsulfonylphenyl)-2-(cyclopropylmethoxy)propanamide
CID 86847260
(2S)-2-(cyclopropylmethoxy)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 94797180

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide (CID 47079469) is 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide is CC(OCC1CC1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
The InChIKey is QQNVGAYIXCLVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-10(19-9-11-4-5-11)15(18)17-12-6-7-13-14(8-12)21-16(2,3)20-13/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,18).
What are the key properties of 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide?
2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 47079469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).