2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide

C10H20N2O3 — CID 54528314

IUPAC2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide
SMILESCCCCN(CC(=O)N(C)OC)C(C)=O
InChIInChI=1S/C10H20N2O3/c1-5-6-7-12(9(2)13)8-10(14)11(3)15-4/h5-8H2,1-4H3
InChIKeyDNGMDBVPAZOHCY-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.65
Rot. Bonds6

About 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide

2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide (PubChem CID 54528314) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide
PubChem CID54528314
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide
SMILESCCCCN(CC(=O)N(C)OC)C(C)=O
InChIInChI=1S/C10H20N2O3/c1-5-6-7-12(9(2)13)8-10(14)11(3)15-4/h5-8H2,1-4H3
InChIKeyDNGMDBVPAZOHCY-UHFFFAOYSA-N
XLogP0.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
CID 113160069
N-butyl-N-heptylacetamide
CID 91713167
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
N-(2-bromoethyl)-N-butylacetamide
CID 80659482
N-methoxy-N-methylpropanamide
CID 11344007
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4286427
2-[acetyl(3-methoxypropyl)amino]-N-butylacetamide
CID 113159992
2-[acetyl(butyl)amino]-N-cyclopropylacetamide
CID 113158611
(3R)-N-methoxy-N-methyl-3-(trideuteriomethyl)heptanamide
CID 71749998
2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
CID 113158615

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide (CID 54528314) is 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide is CCCCN(CC(=O)N(C)OC)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide?
The InChIKey is DNGMDBVPAZOHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-5-6-7-12(9(2)13)8-10(14)11(3)15-4/h5-8H2,1-4H3.
What are the key properties of 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide?
2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide has a molecular weight of 216.28 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butyl)amino]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 54528314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).