N-butyl-3,3-dimethyl-2-oxobutanamide

C10H19NO2 — CID 13355143

IUPACN-butyl-3,3-dimethyl-2-oxobutanamide
SMILESCCCCNC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-11-9(13)8(12)10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyJOXJYUIVUBVJMQ-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds4

About N-butyl-3,3-dimethyl-2-oxobutanamide

N-butyl-3,3-dimethyl-2-oxobutanamide (PubChem CID 13355143) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-2-oxobutanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-2-oxobutanamide
PubChem CID13355143
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-butyl-3,3-dimethyl-2-oxobutanamide
SMILESCCCCNC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-7-11-9(13)8(12)10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyJOXJYUIVUBVJMQ-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-2-oxobutanamide?
The IUPAC name of N-butyl-3,3-dimethyl-2-oxobutanamide (CID 13355143) is N-butyl-3,3-dimethyl-2-oxobutanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-2-oxobutanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-2-oxobutanamide is CCCCNC(=O)C(=O)C(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-2-oxobutanamide?
The InChIKey is JOXJYUIVUBVJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-7-11-9(13)8(12)10(2,3)4/h5-7H2,1-4H3,(H,11,13).
What are the key properties of N-butyl-3,3-dimethyl-2-oxobutanamide?
N-butyl-3,3-dimethyl-2-oxobutanamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-2-oxobutanamide is sourced from PubChem (CID 13355143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).