2,2-dimethyl-N-(2-oxopropyl)butanamide

C9H17NO2 — CID 22972298

IUPAC2,2-dimethyl-N-(2-oxopropyl)butanamide
SMILESCCC(C)(C)C(=O)NCC(C)=O
InChIInChI=1S/C9H17NO2/c1-5-9(3,4)8(12)10-6-7(2)11/h5-6H2,1-4H3,(H,10,12)
InChIKeyPRVDGZFUVMSICK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.13
Rot. Bonds4

About 2,2-dimethyl-N-(2-oxopropyl)butanamide

2,2-dimethyl-N-(2-oxopropyl)butanamide (PubChem CID 22972298) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-oxopropyl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-oxopropyl)butanamide
PubChem CID22972298
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2,2-dimethyl-N-(2-oxopropyl)butanamide
SMILESCCC(C)(C)C(=O)NCC(C)=O
InChIInChI=1S/C9H17NO2/c1-5-9(3,4)8(12)10-6-7(2)11/h5-6H2,1-4H3,(H,10,12)
InChIKeyPRVDGZFUVMSICK-UHFFFAOYSA-N
XLogP1.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-oxopropyl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(2-oxopropyl)butanamide (CID 22972298) is 2,2-dimethyl-N-(2-oxopropyl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-oxopropyl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-oxopropyl)butanamide is CCC(C)(C)C(=O)NCC(C)=O.
What is the InChIKey of 2,2-dimethyl-N-(2-oxopropyl)butanamide?
The InChIKey is PRVDGZFUVMSICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-9(3,4)8(12)10-6-7(2)11/h5-6H2,1-4H3,(H,10,12).
What are the key properties of 2,2-dimethyl-N-(2-oxopropyl)butanamide?
2,2-dimethyl-N-(2-oxopropyl)butanamide has a molecular weight of 171.24 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-oxopropyl)butanamide is sourced from PubChem (CID 22972298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).