N-butyl-2,2-dimethylpropanamide

C9H19NO — CID 528628

IUPACN-butyl-2,2-dimethylpropanamide
SMILESCCCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-10-8(11)9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyJSKYQRAQUAQJSW-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds3

About N-butyl-2,2-dimethylpropanamide

N-butyl-2,2-dimethylpropanamide (PubChem CID 528628) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-butyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-butyl-2,2-dimethylpropanamide
PubChem CID528628
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-butyl-2,2-dimethylpropanamide
SMILESCCCCNC(=O)C(C)(C)C
InChIInChI=1S/C9H19NO/c1-5-6-7-10-8(11)9(2,3)4/h5-7H2,1-4H3,(H,10,11)
InChIKeyJSKYQRAQUAQJSW-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2-dimethylpropanamide?
The IUPAC name of N-butyl-2,2-dimethylpropanamide (CID 528628) is N-butyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-butyl-2,2-dimethylpropanamide?
The canonical SMILES for N-butyl-2,2-dimethylpropanamide is CCCCNC(=O)C(C)(C)C.
What is the InChIKey of N-butyl-2,2-dimethylpropanamide?
The InChIKey is JSKYQRAQUAQJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-5-6-7-10-8(11)9(2,3)4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-butyl-2,2-dimethylpropanamide?
N-butyl-2,2-dimethylpropanamide 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 N-butyl-2,2-dimethylpropanamide is sourced from PubChem (CID 528628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).