N-methoxy-N,2,4-trimethylpentanamide

C9H19NO2 — CID 161245608

IUPACN-methoxy-N,2,4-trimethylpentanamide
SMILESCON(C)C(=O)C(C)CC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-8(3)9(11)10(4)12-5/h7-8H,6H2,1-5H3
InChIKeyQUDVXTXNMSOCPL-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.69
Rot. Bonds4

About N-methoxy-N,2,4-trimethylpentanamide

N-methoxy-N,2,4-trimethylpentanamide (PubChem CID 161245608) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methoxy-N,2,4-trimethylpentanamide.

Molecular Properties

Compound NameN-methoxy-N,2,4-trimethylpentanamide
PubChem CID161245608
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-methoxy-N,2,4-trimethylpentanamide
SMILESCON(C)C(=O)C(C)CC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)6-8(3)9(11)10(4)12-5/h7-8H,6H2,1-5H3
InChIKeyQUDVXTXNMSOCPL-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
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

[5-[methoxy(methyl)amino]-4-methyl-5-oxopentan-2-yl]carbamic acid
CID 118978249
N-methoxy-N,4-dimethyl-2-(oxoboranylmethylideneamino)pentanamide
CID 18341635
N-methoxy-N,4-dimethyl-2-phenylpentanamide
CID 22270428
N-methoxy-N,2-dimethylbutanamide;2-methylbutanal
CID 160908077
N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 139377372
N-methoxy-N,3-dimethylbutanamide
CID 10975620
3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766
3-(3,5-difluorophenyl)-N-methoxy-N,2-dimethylpropanamide
CID 23589518
(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
CID 71492099
methane;(2S)-N-methoxy-N-methyl-2-(methylamino)propanamide;(2R)-N-methoxy-N-methyl-2-(methylamino)propanamide
CID 158882203
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 58077726
tert-butyl N-[(2S)-1-[methoxy(methyl)amino]-5-methyl-1-oxohexan-2-yl]carbamate
CID 22942156

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N,2,4-trimethylpentanamide?
The IUPAC name of N-methoxy-N,2,4-trimethylpentanamide (CID 161245608) is N-methoxy-N,2,4-trimethylpentanamide.
What is the SMILES notation for N-methoxy-N,2,4-trimethylpentanamide?
The canonical SMILES for N-methoxy-N,2,4-trimethylpentanamide is CON(C)C(=O)C(C)CC(C)C.
What is the InChIKey of N-methoxy-N,2,4-trimethylpentanamide?
The InChIKey is QUDVXTXNMSOCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)6-8(3)9(11)10(4)12-5/h7-8H,6H2,1-5H3.
What are the key properties of N-methoxy-N,2,4-trimethylpentanamide?
N-methoxy-N,2,4-trimethylpentanamide has a molecular weight of 173.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N,2,4-trimethylpentanamide is sourced from PubChem (CID 161245608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).