N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide

C8H15NO2 — CID 15555425

IUPACN-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(C)(C)C=O
InChIInChI=1S/C8H15NO2/c1-7(11)9(4)5-8(2,3)6-10/h6H,5H2,1-4H3
InChIKeyTYYALPYTOVCMGL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide

N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide (PubChem CID 15555425) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide
PubChem CID15555425
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(C)(C)C=O
InChIInChI=1S/C8H15NO2/c1-7(11)9(4)5-8(2,3)6-10/h6H,5H2,1-4H3
InChIKeyTYYALPYTOVCMGL-UHFFFAOYSA-N
XLogP0.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide?
The IUPAC name of N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide (CID 15555425) is N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide.
What is the SMILES notation for N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide?
The canonical SMILES for N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide is CC(=O)N(C)CC(C)(C)C=O.
What is the InChIKey of N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide?
The InChIKey is TYYALPYTOVCMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(11)9(4)5-8(2,3)6-10/h6H,5H2,1-4H3.
What are the key properties of N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide?
N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-3-oxopropyl)-N-methylacetamide is sourced from PubChem (CID 15555425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).