N,N,4,4-tetramethyl-3-oxopentanamide

C9H17NO2 — CID 13154492

IUPACN,N,4,4-tetramethyl-3-oxopentanamide
SMILESCN(C)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)7(11)6-8(12)10(4)5/h6H2,1-5H3
InChIKeyUFQWWWYACRBQHC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds2

About N,N,4,4-tetramethyl-3-oxopentanamide

N,N,4,4-tetramethyl-3-oxopentanamide (PubChem CID 13154492) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N,4,4-tetramethyl-3-oxopentanamide.

Molecular Properties

Compound NameN,N,4,4-tetramethyl-3-oxopentanamide
PubChem CID13154492
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N,4,4-tetramethyl-3-oxopentanamide
SMILESCN(C)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C9H17NO2/c1-9(2,3)7(11)6-8(12)10(4)5/h6H2,1-5H3
InChIKeyUFQWWWYACRBQHC-UHFFFAOYSA-N
XLogP1.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

Piperidine, 1-(3-oxo-2,2,4-trimethylvaleryl)-
CID 99355
N,N,4,4-tetramethylpentanamide
CID 20601504
N,N,5,5-tetramethyl-4-oxohexanamide
CID 102472535
N,N,2,2,4-Pentamethylvaleramide
CID 3022208
N,N,2,2,4,4-hexamethylpentanamide
CID 91595739
Pyrrolidine, 1-(2,2,4-trimethyl-3-oxovaleryl)-
CID 312042
4,4-Dimethyl-1-piperidin-1-ylpentane-1,3-dione
CID 85853391
N,N-dimethyl(diethyl)-3-oxo-butanamide
CID 129751775
(2S)-N,N-diethyl-2,4-dimethyl-3-oxopentanamide
CID 135079362
2-methyl-N,N-bis(2-methylpropyl)-3-oxopentanamide
CID 265169
Yzzqsansdxdbic-uhfffaoysa-
CID 12935842
N,N-diethyl-2,4-dimethyl-3-oxopentanamide
CID 13541242

Frequently Asked Questions

What is the IUPAC name of N,N,4,4-tetramethyl-3-oxopentanamide?
The IUPAC name of N,N,4,4-tetramethyl-3-oxopentanamide (CID 13154492) is N,N,4,4-tetramethyl-3-oxopentanamide.
What is the SMILES notation for N,N,4,4-tetramethyl-3-oxopentanamide?
The canonical SMILES for N,N,4,4-tetramethyl-3-oxopentanamide is CN(C)C(=O)CC(=O)C(C)(C)C.
What is the InChIKey of N,N,4,4-tetramethyl-3-oxopentanamide?
The InChIKey is UFQWWWYACRBQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-9(2,3)7(11)6-8(12)10(4)5/h6H2,1-5H3.
What are the key properties of N,N,4,4-tetramethyl-3-oxopentanamide?
N,N,4,4-tetramethyl-3-oxopentanamide has a molecular weight of 171.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4,4-tetramethyl-3-oxopentanamide is sourced from PubChem (CID 13154492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).