4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide

C14H22N2O — CID 65297514

IUPAC4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
SMILESCc1ccc(C(N)CC(C)(C)C(N)=O)cc1C
InChIInChI=1S/C14H22N2O/c1-9-5-6-11(7-10(9)2)12(15)8-14(3,4)13(16)17/h5-7,12H,8,15H2,1-4H3,(H2,16,17)
InChIKeyQTFRSBQLHTWUKY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.20
Rot. Bonds4

About 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide

4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide (PubChem CID 65297514) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
PubChem CID65297514
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
SMILESCc1ccc(C(N)CC(C)(C)C(N)=O)cc1C
InChIInChI=1S/C14H22N2O/c1-9-5-6-11(7-10(9)2)12(15)8-14(3,4)13(16)17/h5-7,12H,8,15H2,1-4H3,(H2,16,17)
InChIKeyQTFRSBQLHTWUKY-UHFFFAOYSA-N
XLogP2.20
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
CID 113319108
methyl 5-amino-5-(3,4-dimethylphenyl)-3,3-dimethylpentanoate
CID 62934522
4-amino-2,2-dimethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 65298814
4-amino-2,2-dimethyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 65298571
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
CID 79736256
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
1-(3,4-dimethylphenyl)-3,4,4-trimethylpentan-1-amine
CID 63833414
5-amino-5-(3,4-dimethylphenyl)-3-methylpentanoic acid
CID 62941465
1-(3,4-dimethylphenyl)-2-propan-2-yloxyethanamine
CID 43184504
1-(3,4-dimethylphenyl)-2-(2-methoxyethoxy)ethanamine
CID 43184533
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide (CID 65297514) is 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide is Cc1ccc(C(N)CC(C)(C)C(N)=O)cc1C.
What is the InChIKey of 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide?
The InChIKey is QTFRSBQLHTWUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-9-5-6-11(7-10(9)2)12(15)8-14(3,4)13(16)17/h5-7,12H,8,15H2,1-4H3,(H2,16,17).
What are the key properties of 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide?
4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 65297514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).