N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

C13H19NO4 — CID 82064560

IUPACN-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCCCN(C)C(=O)COc1c(C)occc1=O
InChIInChI=1S/C13H19NO4/c1-4-5-7-14(3)12(16)9-18-13-10(2)17-8-6-11(13)15/h6,8H,4-5,7,9H2,1-3H3
InChIKeyGCAOTZQLGYLEBA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.59
Rot. Bonds6

About N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide

N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (PubChem CID 82064560) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
PubChem CID82064560
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC NameN-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
SMILESCCCCN(C)C(=O)COc1c(C)occc1=O
InChIInChI=1S/C13H19NO4/c1-4-5-7-14(3)12(16)9-18-13-10(2)17-8-6-11(13)15/h6,8H,4-5,7,9H2,1-3H3
InChIKeyGCAOTZQLGYLEBA-UHFFFAOYSA-N
XLogP1.59
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide 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

5-hydroxy-N-methyl-4-oxo-N-prop-2-enylpyran-2-carboxamide
CID 135077053
2-(azepane-1-carbonyl)-5-methoxy-4H-pyran-4-one
CID 30860237
pent-2-en-2-yl N-butyl-N-[2-(3-oxobut-1-en-2-yloxy)ethyl]carbamate
CID 141098431
N-butyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537835
2-{[(3S)-3-ethylmorpholin-4-yl]carbonyl}-5-methoxy-4H-pyran-4-one
CID 70773826
N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxo-4H-pyran-2-carboxamide
CID 77089144
2-Methyl-3-(3-morpholin-4-yl-3-oxopropoxy)pyran-4-one
CID 82064547
2-Methyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
CID 82064551
3-[2-(Azepan-1-yl)-2-oxoethoxy]-2-methylpyran-4-one
CID 82064554
N,N-diethyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064556
2-(2-methyl-4-oxopyran-3-yl)oxy-N,N-dipropylacetamide
CID 82064558
N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064562

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The IUPAC name of N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide (CID 82064560) is N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide.
What is the SMILES notation for N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The canonical SMILES for N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is CCCCN(C)C(=O)COc1c(C)occc1=O.
What is the InChIKey of N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
The InChIKey is GCAOTZQLGYLEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-5-7-14(3)12(16)9-18-13-10(2)17-8-6-11(13)15/h6,8H,4-5,7,9H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide?
N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide has a molecular weight of 253.30 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide is sourced from PubChem (CID 82064560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).