N-methoxy-N-methylpropanamide

C5H11NO2 — CID 11344007

IUPACN-methoxy-N-methylpropanamide
SMILESCCC(=O)N(C)OC
InChIInChI=1S/C5H11NO2/c1-4-5(7)6(2)8-3/h4H2,1-3H3
InChIKeyYKVJZSZZQKQJMO-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.42
Rot. Bonds2

About N-methoxy-N-methylpropanamide

N-methoxy-N-methylpropanamide (PubChem CID 11344007) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-methoxy-N-methylpropanamide.

Molecular Properties

Compound NameN-methoxy-N-methylpropanamide
PubChem CID11344007
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-methoxy-N-methylpropanamide
SMILESCCC(=O)N(C)OC
InChIInChI=1S/C5H11NO2/c1-4-5(7)6(2)8-3/h4H2,1-3H3
InChIKeyYKVJZSZZQKQJMO-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N,3,3-trimethylpentanamide
CID 129061137
N-methoxy-N,3-dimethylbutanamide
CID 10975620
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
(Z)-N-methoxy-N-methylpent-3-enamide
CID 143446691
[4-[methoxy(methyl)amino]-4-oxobutanoyl]azanide;palladium
CID 162387878
2-(4-ethylphenyl)-N-methoxy-N-methylacetamide
CID 89040835
N-methoxy-N-methyl-4-oxononanamide
CID 121217701
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
4-bromo-N-methoxy-N-methylpent-4-enamide
CID 91756940
N-methoxy-N-methylbut-1-en-2-amine
CID 156857821
2-(azetidin-1-yl)-N-methoxy-N-methylacetamide
CID 131222770

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methylpropanamide?
The IUPAC name of N-methoxy-N-methylpropanamide (CID 11344007) is N-methoxy-N-methylpropanamide.
What is the SMILES notation for N-methoxy-N-methylpropanamide?
The canonical SMILES for N-methoxy-N-methylpropanamide is CCC(=O)N(C)OC.
What is the InChIKey of N-methoxy-N-methylpropanamide?
The InChIKey is YKVJZSZZQKQJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4-5(7)6(2)8-3/h4H2,1-3H3.
What are the key properties of N-methoxy-N-methylpropanamide?
N-methoxy-N-methylpropanamide has a molecular weight of 117.15 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methylpropanamide is sourced from PubChem (CID 11344007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).