3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C16H20N2O4 — CID 113115681

IUPAC3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc2c(c1)OCCO2)C(C)=O
InChIInChI=1S/C16H20N2O4/c1-3-7-18(12(2)19)8-6-16(20)17-13-4-5-14-15(11-13)22-10-9-21-14/h3-5,11H,1,6-10H2,2H3,(H,17,20)
InChIKeyNEOHCCYHLXGYEL-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.82
Rot. Bonds6

About 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 113115681) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound Name3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID113115681
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESC=CCN(CCC(=O)Nc1ccc2c(c1)OCCO2)C(C)=O
InChIInChI=1S/C16H20N2O4/c1-3-7-18(12(2)19)8-6-16(20)17-13-4-5-14-15(11-13)22-10-9-21-14/h3-5,11H,1,6-10H2,2H3,(H,17,20)
InChIKeyNEOHCCYHLXGYEL-UHFFFAOYSA-N
XLogP1.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.82
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-(2,3-dihydro-1,4-benzodioxin-6-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-(1,3-benzodioxol-5-yl)propanamide
CID 113115680
3-[acetyl(propyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113115082
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113133087
3-[acetyl(butyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113115878
3-[acetyl(cycloheptyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113122776
3-[acetyl(pentyl)amino]-N-(1,3-benzodioxol-5-yl)propanamide
CID 113123152
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxopentanamide
CID 60638238
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentanamide
CID 30795800
3-(N-acetyl-4-chloro-2-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 113127938

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 113115681) is 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is C=CCN(CCC(=O)Nc1ccc2c(c1)OCCO2)C(C)=O.
What is the InChIKey of 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is NEOHCCYHLXGYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-3-7-18(12(2)19)8-6-16(20)17-13-4-5-14-15(11-13)22-10-9-21-14/h3-5,11H,1,6-10H2,2H3,(H,17,20).
What are the key properties of 3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
3-[acetyl(prop-2-enyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 304.35 g/mol, XLogP of 1.82, 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-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 113115681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).