2-anilino-3,3-dimethylbutanamide

C12H18N2O — CID 61324562

IUPAC2-anilino-3,3-dimethylbutanamide
SMILESCC(C)(C)C(Nc1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-12(2,3)10(11(13)15)14-9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H2,13,15)
InChIKeySVBYUHOKKDZFPL-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.00
Rot. Bonds3

About 2-anilino-3,3-dimethylbutanamide

2-anilino-3,3-dimethylbutanamide (PubChem CID 61324562) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-anilino-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-anilino-3,3-dimethylbutanamide
PubChem CID61324562
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-anilino-3,3-dimethylbutanamide
SMILESCC(C)(C)C(Nc1ccccc1)C(N)=O
InChIInChI=1S/C12H18N2O/c1-12(2,3)10(11(13)15)14-9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H2,13,15)
InChIKeySVBYUHOKKDZFPL-UHFFFAOYSA-N
XLogP2.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-anilinoacetyl)amino]-3,3-dimethylbutanamide;hydrochloride
CID 119778151
2-(3,5-dimethylanilino)-3,3-dimethylbutanamide
CID 174950505
2-anilino-4,4-dimethylpentanamide
CID 62950049
(2S)-2-amino-3,3-dimethylbutanoic acid;(2S)-2-anilino-3,3-dimethylbutanoic acid;bromobenzene;ethane
CID 159878387
2-amino-2-anilinoacetamide
CID 69372465
2-anilino-2-phenylacetamide;ethane
CID 142824395
methyl 2-anilinopropanoate
CID 3417283
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
3-anilino-4,4-dimethyl-1-phenylpentan-1-one
CID 23635304
methyl 2-anilino-4,4-dimethylpentanoate
CID 55156393
(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3,3-dimethylbutanamide?
The IUPAC name of 2-anilino-3,3-dimethylbutanamide (CID 61324562) is 2-anilino-3,3-dimethylbutanamide.
What is the SMILES notation for 2-anilino-3,3-dimethylbutanamide?
The canonical SMILES for 2-anilino-3,3-dimethylbutanamide is CC(C)(C)C(Nc1ccccc1)C(N)=O.
What is the InChIKey of 2-anilino-3,3-dimethylbutanamide?
The InChIKey is SVBYUHOKKDZFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,3)10(11(13)15)14-9-7-5-4-6-8-9/h4-8,10,14H,1-3H3,(H2,13,15).
What are the key properties of 2-anilino-3,3-dimethylbutanamide?
2-anilino-3,3-dimethylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3,3-dimethylbutanamide is sourced from PubChem (CID 61324562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).