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

C15H20N2O4 — CID 113178218

IUPAC2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O4/c1-4-10(2)16-15(19)8-17(11(3)18)12-5-6-13-14(7-12)21-9-20-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyLDNBCCZMKVEWNQ-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.68
Rot. Bonds5

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

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide (PubChem CID 113178218) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
PubChem CID113178218
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O4/c1-4-10(2)16-15(19)8-17(11(3)18)12-5-6-13-14(7-12)21-9-20-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,19)
InChIKeyLDNBCCZMKVEWNQ-UHFFFAOYSA-N
XLogP1.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
CID 113178241
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
2-[N-acetyl-4-(diethylamino)anilino]-N-butan-2-ylacetamide
CID 113176823
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 113178353
2-(N-acetyl-4-propan-2-yloxyanilino)-N-butan-2-ylacetamide
CID 113174353
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 113178253
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
2-(N-acetyl-4-ethylanilino)-N-(1,3-benzodioxol-5-yl)acetamide
CID 113169371
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-tert-butylacetamide
CID 113178447
2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-(4-propan-2-ylphenyl)acetamide
CID 113178476
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]pentanamide
CID 113062939

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide (CID 113178218) is 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(C(C)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide?
The InChIKey is LDNBCCZMKVEWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-10(2)16-15(19)8-17(11(3)18)12-5-6-13-14(7-12)21-9-20-13/h5-7,10H,4,8-9H2,1-3H3,(H,16,19).
What are the key properties of 2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide?
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-butan-2-ylacetamide has a molecular weight of 292.34 g/mol, XLogP of 1.68, 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-butan-2-ylacetamide is sourced from PubChem (CID 113178218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).