(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide

C17H17NO3 — CID 26400238

IUPAC(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO3/c1-18-17(19)10-14(12-5-3-2-4-6-12)13-7-8-15-16(9-13)21-11-20-15/h2-9,14H,10-11H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyOAHLTPGIUKFVNY-AWEZNQCLSA-N
MW283.33 g/mol
LogP2.68
Rot. Bonds4

About (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide

(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide (PubChem CID 26400238) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
PubChem CID26400238
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H17NO3/c1-18-17(19)10-14(12-5-3-2-4-6-12)13-7-8-15-16(9-13)21-11-20-15/h2-9,14H,10-11H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyOAHLTPGIUKFVNY-AWEZNQCLSA-N
XLogP2.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-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

(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400241
3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 45248528
3-(1,3-benzodioxol-5-yl)-N-tert-butyl-3-phenylpropanamide
CID 45243758
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 72850656
N-methyl-3,3-diphenylpropanamide
CID 3373592
3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 45226577
3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide
CID 45240746
(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 42361312
3-(1,3-benzodioxol-5-yl)-N-methyl-N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 45183521
3-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-N-methyl-3-phenylpropanamide
CID 45247426
3-(1,3-benzodioxol-5-yl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 45197792
(3R)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-one
CID 26333026

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide (CID 26400238) is (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide is CNC(=O)C[C@@H](c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
The InChIKey is OAHLTPGIUKFVNY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-17(19)10-14(12-5-3-2-4-6-12)13-7-8-15-16(9-13)21-11-20-15/h2-9,14H,10-11H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 26400238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).