2,2-dimethyl-N-propan-2-ylbutanamide

C9H19NO — CID 4628265

IUPAC2,2-dimethyl-N-propan-2-ylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)C
InChIInChI=1S/C9H19NO/c1-6-9(4,5)8(11)10-7(2)3/h7H,6H2,1-5H3,(H,10,11)
InChIKeyYBXBGIULKFLFDA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds3

About 2,2-dimethyl-N-propan-2-ylbutanamide

2,2-dimethyl-N-propan-2-ylbutanamide (PubChem CID 4628265) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-ylbutanamide
PubChem CID4628265
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,2-dimethyl-N-propan-2-ylbutanamide
SMILESCCC(C)(C)C(=O)NC(C)C
InChIInChI=1S/C9H19NO/c1-6-9(4,5)8(11)10-7(2)3/h7H,6H2,1-5H3,(H,10,11)
InChIKeyYBXBGIULKFLFDA-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-ylbutanamide?
The IUPAC name of 2,2-dimethyl-N-propan-2-ylbutanamide (CID 4628265) is 2,2-dimethyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2,2-dimethyl-N-propan-2-ylbutanamide is CCC(C)(C)C(=O)NC(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-ylbutanamide?
The InChIKey is YBXBGIULKFLFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-9(4,5)8(11)10-7(2)3/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of 2,2-dimethyl-N-propan-2-ylbutanamide?
2,2-dimethyl-N-propan-2-ylbutanamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 4628265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).