3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide

C15H18N2O4 — CID 113115680

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C15H18N2O4/c1-3-7-17(11(2)18)8-6-15(19)16-12-4-5-13-14(9-12)21-10-20-13/h3-5,9H,1,6-8,10H2,2H3,(H,16,19)
InChIKeyXHRWLEPBFFYPNV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.78
Rot. Bonds6

About 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide

3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide (PubChem CID 113115680) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
PubChem CID113115680
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C15H18N2O4/c1-3-7-17(11(2)18)8-6-15(19)16-12-4-5-13-14(9-12)21-10-20-13/h3-5,9H,1,6-8,10H2,2H3,(H,16,19)
InChIKeyXHRWLEPBFFYPNV-UHFFFAOYSA-N
XLogP1.78
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-[acetyl(prop-2-enyl)amino]-N-(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

3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113115681
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152
3-[acetyl(propyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113115082
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-methylphenyl)propanamide
CID 113120084
N-(1,3-benzodioxol-5-yl)nonanamide
CID 5213416
3-(N-acetyl-3,5-dichloroanilino)-N-(1,3-benzodioxol-5-yl)propanamide
CID 113134144
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113120117
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-methylamino]propanoic acid
CID 119913138
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(ethyl)amino]propanamide
CID 47220201

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide (CID 113115680) is 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide is C=CCN(CCC(=O)Nc1ccc2c(c1)OCO2)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide?
The InChIKey is XHRWLEPBFFYPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-3-7-17(11(2)18)8-6-15(19)16-12-4-5-13-14(9-12)21-10-20-13/h3-5,9H,1,6-8,10H2,2H3,(H,16,19).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide has a molecular weight of 290.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(prop-2-enyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide is sourced from PubChem (CID 113115680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).