N-methoxy-N,3,3-trimethylpentanamide

C9H19NO2 — CID 129061137

IUPACN-methoxy-N,3,3-trimethylpentanamide
SMILESCCC(C)(C)CC(=O)N(C)OC
InChIInChI=1S/C9H19NO2/c1-6-9(2,3)7-8(11)10(4)12-5/h6-7H2,1-5H3
InChIKeyJMUYJMJNYNCDTF-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.83
Rot. Bonds4

About N-methoxy-N,3,3-trimethylpentanamide

N-methoxy-N,3,3-trimethylpentanamide (PubChem CID 129061137) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methoxy-N,3,3-trimethylpentanamide.

Molecular Properties

Compound NameN-methoxy-N,3,3-trimethylpentanamide
PubChem CID129061137
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-methoxy-N,3,3-trimethylpentanamide
SMILESCCC(C)(C)CC(=O)N(C)OC
InChIInChI=1S/C9H19NO2/c1-6-9(2,3)7-8(11)10(4)12-5/h6-7H2,1-5H3
InChIKeyJMUYJMJNYNCDTF-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.83
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,N,3,3-tetramethylpentanamide
CID 23394541
N-methoxy-N-methylpropanamide
CID 11344007
4-[methoxy(methyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 65302588
N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
CID 130272423
methyl 3,3-dimethylpentanoate
CID 3757207
tert-butyl 2-amino-4-[methoxy(methyl)amino]-4-oxobutanoate
CID 90348684
N-methoxy-N,5,5-trimethylhexanamide
CID 89296256
N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 89228630
3-hydroxy-N-methoxy-N-methylbutanamide
CID 73159357
ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 145483087
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
N-methoxy-N,3-dimethylbutanamide
CID 10975620

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,3,3-trimethylpentanamide?
The IUPAC name of N-methoxy-N,3,3-trimethylpentanamide (CID 129061137) is N-methoxy-N,3,3-trimethylpentanamide.
What is the SMILES notation for N-methoxy-N,3,3-trimethylpentanamide?
The canonical SMILES for N-methoxy-N,3,3-trimethylpentanamide is CCC(C)(C)CC(=O)N(C)OC.
What is the InChIKey of N-methoxy-N,3,3-trimethylpentanamide?
The InChIKey is JMUYJMJNYNCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-6-9(2,3)7-8(11)10(4)12-5/h6-7H2,1-5H3.
What are the key properties of N-methoxy-N,3,3-trimethylpentanamide?
N-methoxy-N,3,3-trimethylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,3,3-trimethylpentanamide is sourced from PubChem (CID 129061137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).