2-(3,5-dimethylanilino)-3,3-dimethylbutanamide

C14H22N2O — CID 174950505

IUPAC2-(3,5-dimethylanilino)-3,3-dimethylbutanamide
SMILESCc1cc(C)cc(NC(C(N)=O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9-6-10(2)8-11(7-9)16-12(13(15)17)14(3,4)5/h6-8,12,16H,1-5H3,(H2,15,17)
InChIKeyXROUWUYUVBSPAY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.62
Rot. Bonds3

About 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide

2-(3,5-dimethylanilino)-3,3-dimethylbutanamide (PubChem CID 174950505) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-3,3-dimethylbutanamide
PubChem CID174950505
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,5-dimethylanilino)-3,3-dimethylbutanamide
SMILESCc1cc(C)cc(NC(C(N)=O)C(C)(C)C)c1
InChIInChI=1S/C14H22N2O/c1-9-6-10(2)8-11(7-9)16-12(13(15)17)14(3,4)5/h6-8,12,16H,1-5H3,(H2,15,17)
InChIKeyXROUWUYUVBSPAY-UHFFFAOYSA-N
XLogP2.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-3,3-dimethylbutanamide
CID 61324562
dimethyl 2-(3,5-dimethylanilino)propanedioate
CID 142664193
(2S)-2-(3,5-dimethylanilino)-2-phenylacetamide
CID 25348784
(2S)-N-carbamoyl-2-(3,5-dimethylanilino)propanamide
CID 28835532
(2S)-2-[(3,5-dimethylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61144757
2-(4-fluoro-3,5-dimethylanilino)propanamide
CID 143730573
3-methyl-2-(3-methyl-5-nitroanilino)butanamide
CID 106345871
(2S)-2-(carbamoylamino)-3,3-dimethylbutanamide
CID 130628762
2-(3,5-dimethylanilino)-N-propan-2-ylpropanamide
CID 43084818
(2S)-2-[(4-amino-3-methylbenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61161701
tert-butyl 2-(3-fluoro-5-methylanilino)propanoate
CID 79054844
tert-butyl N-[3-amino-2-(3-fluoro-5-methylanilino)-3-oxopropyl]carbamate
CID 102730795

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide?
The IUPAC name of 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide (CID 174950505) is 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide is Cc1cc(C)cc(NC(C(N)=O)C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide?
The InChIKey is XROUWUYUVBSPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-6-10(2)8-11(7-9)16-12(13(15)17)14(3,4)5/h6-8,12,16H,1-5H3,(H2,15,17).
What are the key properties of 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide?
2-(3,5-dimethylanilino)-3,3-dimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-3,3-dimethylbutanamide is sourced from PubChem (CID 174950505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).