2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide

C14H18N2O4 — CID 113178212

IUPAC2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O4/c1-3-6-15-14(18)8-16(10(2)17)11-4-5-12-13(7-11)20-9-19-12/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,18)
InChIKeyULWOEBZXQMVGOF-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.29
Rot. Bonds5

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

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide (PubChem CID 113178212) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
PubChem CID113178212
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
SMILESCCCNC(=O)CN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O4/c1-3-6-15-14(18)8-16(10(2)17)11-4-5-12-13(7-11)20-9-19-12/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,18)
InChIKeyULWOEBZXQMVGOF-UHFFFAOYSA-N
XLogP1.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
CID 113178218
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178253
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(2-methoxyethyl)acetamide
CID 113178398
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
2-[N-acetyl-4-(diethylamino)anilino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113176854
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
2-(N-acetyl-4-methylanilino)-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113167686
2-(N-acetyl-4-chloroanilino)-N-propylacetamide
CID 113171472
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113062967
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
CID 113178241

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide?
The IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide (CID 113178212) is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide.
What is the SMILES notation for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide?
The canonical SMILES for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide is CCCNC(=O)CN(C(C)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide?
The InChIKey is ULWOEBZXQMVGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-6-15-14(18)8-16(10(2)17)11-4-5-12-13(7-11)20-9-19-12/h4-5,7H,3,6,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide?
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide has a molecular weight of 278.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide is sourced from PubChem (CID 113178212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).