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

C17H17NO3 — CID 45248528

IUPAC3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(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)
InChIKeyOAHLTPGIUKFVNY-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.68
Rot. Bonds4

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

3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide (PubChem CID 45248528) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
PubChem CID45248528
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
SMILESCNC(=O)CC(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)
InChIKeyOAHLTPGIUKFVNY-UHFFFAOYSA-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

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Related Compounds

(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400241
(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400238
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 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide (CID 45248528) is 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide is CNC(=O)CC(c1ccccc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
The InChIKey is OAHLTPGIUKFVNY-UHFFFAOYSA-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).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide?
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 3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 45248528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).