3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide

C16H31NO2 — CID 23336254

IUPAC3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide
SMILESCCCCCCCC(C)(C)NC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-7-8-9-10-11-12-16(5,6)17-14(19)13(18)15(2,3)4/h7-12H2,1-6H3,(H,17,19)
InChIKeyDDCQESTYKHBYAE-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.86
Rot. Bonds8

About 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide

3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide (PubChem CID 23336254) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide
PubChem CID23336254
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide
SMILESCCCCCCCC(C)(C)NC(=O)C(=O)C(C)(C)C
InChIInChI=1S/C16H31NO2/c1-7-8-9-10-11-12-16(5,6)17-14(19)13(18)15(2,3)4/h7-12H2,1-6H3,(H,17,19)
InChIKeyDDCQESTYKHBYAE-UHFFFAOYSA-N
XLogP3.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.86
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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Related Compounds

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1,2-bis(2-methylundecan-2-yl)hydrazine
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(2R)-2-amino-N-(2-methylheptan-2-yl)-3-sulfanylpropanamide
CID 118626867
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
N-(2-methylundecan-2-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3066165
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
N-ethyl-2-methyloctan-2-amine
CID 123477104
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
N-(2-methyloctan-2-yl)-2-morpholin-4-ylacetamide
CID 3066158
N-(2-methylheptan-2-yl)-2-piperidin-1-ylacetamide
CID 3066164
N,N-dimethyl-3-(2-methyloctan-2-ylamino)propanamide
CID 155451070

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide (CID 23336254) is 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide is CCCCCCCC(C)(C)NC(=O)C(=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide?
The InChIKey is DDCQESTYKHBYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-7-8-9-10-11-12-16(5,6)17-14(19)13(18)15(2,3)4/h7-12H2,1-6H3,(H,17,19).
What are the key properties of 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide?
3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide has a molecular weight of 269.43 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylnonan-2-yl)-2-oxobutanamide is sourced from PubChem (CID 23336254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).