N,N,2,3,3-pentamethyl-4-oxobutanamide

C9H17NO2 — CID 59942405

IUPACN,N,2,3,3-pentamethyl-4-oxobutanamide
SMILESCC(C(=O)N(C)C)C(C)(C)C=O
InChIInChI=1S/C9H17NO2/c1-7(8(12)10(4)5)9(2,3)6-11/h6-7H,1-5H3
InChIKeyXDVZRLWIXQORON-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

About N,N,2,3,3-pentamethyl-4-oxobutanamide

N,N,2,3,3-pentamethyl-4-oxobutanamide (PubChem CID 59942405) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N,2,3,3-pentamethyl-4-oxobutanamide.

Molecular Properties

Compound NameN,N,2,3,3-pentamethyl-4-oxobutanamide
PubChem CID59942405
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN,N,2,3,3-pentamethyl-4-oxobutanamide
SMILESCC(C(=O)N(C)C)C(C)(C)C=O
InChIInChI=1S/C9H17NO2/c1-7(8(12)10(4)5)9(2,3)6-11/h6-7H,1-5H3
InChIKeyXDVZRLWIXQORON-UHFFFAOYSA-N
XLogP0.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

InChI=1/C9H13NO2/c1-5-9(2,7-11)6-8(12)10(3)4/h1,7H,6H2,2-4H
CID 15940028
N,N,3-trimethyl-4-oxobutanamide
CID 21339223
(2R)-N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten
CID 59942386
N,N,2,3,3-pentamethyl-4-oxobutanamide;tungsten
CID 59942404
N,N,3,3-tetramethyl-4-oxobutanamide
CID 91424327
3-formyl-N,N,4-trimethylpentanamide
CID 91609262
N,2-dimethyl-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 132196584
N-(2,2-dimethylpropanoyl)-N,3,3-trimethyl-2-(2-oxoethyl)butanamide
CID 134439405
N,N,2,2-tetramethyl-4-oxobutanamide
CID 141082927
N,N,2-trimethyl-4-oxobutanamide
CID 142195857
N,N-dimethyl-4-oxobutanamide;ethane
CID 142238000
ethane;N-ethyl-N,2,2-trimethyl-4-oxobutanamide
CID 143012057

Frequently Asked Questions

What is the IUPAC name of N,N,2,3,3-pentamethyl-4-oxobutanamide?
The IUPAC name of N,N,2,3,3-pentamethyl-4-oxobutanamide (CID 59942405) is N,N,2,3,3-pentamethyl-4-oxobutanamide.
What is the SMILES notation for N,N,2,3,3-pentamethyl-4-oxobutanamide?
The canonical SMILES for N,N,2,3,3-pentamethyl-4-oxobutanamide is CC(C(=O)N(C)C)C(C)(C)C=O.
What is the InChIKey of N,N,2,3,3-pentamethyl-4-oxobutanamide?
The InChIKey is XDVZRLWIXQORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(8(12)10(4)5)9(2,3)6-11/h6-7H,1-5H3.
What are the key properties of N,N,2,3,3-pentamethyl-4-oxobutanamide?
N,N,2,3,3-pentamethyl-4-oxobutanamide has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,3,3-pentamethyl-4-oxobutanamide is sourced from PubChem (CID 59942405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).