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

C16H26N2O — CID 113319108

IUPAC4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
SMILESCCc1ccc(C(N)CC(C)(C)C(N)=O)cc1CC
InChIInChI=1S/C16H26N2O/c1-5-11-7-8-13(9-12(11)6-2)14(17)10-16(3,4)15(18)19/h7-9,14H,5-6,10,17H2,1-4H3,(H2,18,19)
InChIKeyLPBLBWDSYSACBG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds6

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

4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide (PubChem CID 113319108) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
PubChem CID113319108
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide
SMILESCCc1ccc(C(N)CC(C)(C)C(N)=O)cc1CC
InChIInChI=1S/C16H26N2O/c1-5-11-7-8-13(9-12(11)6-2)14(17)10-16(3,4)15(18)19/h7-9,14H,5-6,10,17H2,1-4H3,(H2,18,19)
InChIKeyLPBLBWDSYSACBG-UHFFFAOYSA-N
XLogP2.71
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-4-(3,4-dimethylphenyl)-2,2-dimethylbutanamide
CID 65297514
4-amino-4-(3,4-dichlorophenyl)-2,2-dimethylbutanamide
CID 65297365
4-amino-4-(3-bromo-4-fluorophenyl)-2,2-dimethylbutanamide
CID 79736256
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
1-(3,4-diethylphenyl)-2-methylsulfonylethanamine
CID 113319059
4-amino-4-(3,4-dihydro-2H-chromen-6-yl)-2,2-dimethylbutanamide
CID 65297971
1-(3,4-diethylphenyl)hexan-1-amine
CID 113319060
1-(3,4-diethylphenyl)ethyl 2-tert-butyl-4,4-dimethylpentanoate
CID 144690622
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
4-amino-4-(5-bromo-4-methylthiophen-2-yl)-2,2-dimethylbutanamide
CID 79991570
1-(3,4-diethylphenyl)propan-1-ol
CID 115482676

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide?
The IUPAC name of 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide (CID 113319108) is 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide is CCc1ccc(C(N)CC(C)(C)C(N)=O)cc1CC.
What is the InChIKey of 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide?
The InChIKey is LPBLBWDSYSACBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-11-7-8-13(9-12(11)6-2)14(17)10-16(3,4)15(18)19/h7-9,14H,5-6,10,17H2,1-4H3,(H2,18,19).
What are the key properties of 4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide?
4-amino-4-(3,4-diethylphenyl)-2,2-dimethylbutanamide has a molecular weight of 262.40 g/mol, XLogP of 2.71, 6 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-diethylphenyl)-2,2-dimethylbutanamide is sourced from PubChem (CID 113319108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).