N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide

C20H22N2O4 — CID 55609804

IUPACN-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H22N2O4/c1-13(2)20(24)22-16-5-3-4-15(11-16)21-19(23)9-7-14-6-8-17-18(10-14)26-12-25-17/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFLBHQJZDGJDHJK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.58
Rot. Bonds6

About N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide

N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide (PubChem CID 55609804) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
PubChem CID55609804
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C20H22N2O4/c1-13(2)20(24)22-16-5-3-4-15(11-16)21-19(23)9-7-14-6-8-17-18(10-14)26-12-25-17/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyFLBHQJZDGJDHJK-UHFFFAOYSA-N
XLogP3.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide 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

3-(1,3-benzodioxol-5-yl)-N-(2,6-diethylphenyl)propanamide
CID 16574716
N-[3-(2-methylpropanoylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 969062
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-[3-(1,3-dioxoisoindol-2-yl)phenyl]propanamide
CID 56506794
3-(1,3-benzodioxol-5-yl)-N-[3-(cyclopropylsulfamoyl)phenyl]propanamide
CID 24582409
2-(1,3-benzodioxol-5-yl)-N-(3-methylphenyl)acetamide
CID 40805167
2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(3-methylphenyl)benzamide
CID 24555317
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
3-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
CID 55807106

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide (CID 55609804) is N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide?
The InChIKey is FLBHQJZDGJDHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)20(24)22-16-5-3-4-15(11-16)21-19(23)9-7-14-6-8-17-18(10-14)26-12-25-17/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide?
N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide has a molecular weight of 354.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55609804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).