N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide

C15H22N2O2 — CID 65269737

IUPACN-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C15H22N2O2/c1-10(18)11-6-8-12(9-7-11)17-13(19)14(2,3)15(4,5)16/h6-9H,16H2,1-5H3,(H,17,19)
InChIKeyVIUZARQHHMETLH-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.59
Rot. Bonds4

About N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide

N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide (PubChem CID 65269737) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
PubChem CID65269737
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C15H22N2O2/c1-10(18)11-6-8-12(9-7-11)17-13(19)14(2,3)15(4,5)16/h6-9H,16H2,1-5H3,(H,17,19)
InChIKeyVIUZARQHHMETLH-UHFFFAOYSA-N
XLogP2.59
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
CID 65264564
N-(4-acetylphenyl)-2-methoxy-2-methylpropanamide
CID 113233232
3-amino-N-[4-(diethylamino)phenyl]-2,2,3-trimethylbutanamide
CID 65265051
N-(4-acetylphenyl)-2,2,4,4-tetramethylpentanamide
CID 143619432
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 65264385
N-(4-acetylphenyl)-2-hydroxy-2,2-diphenylacetamide
CID 12522226
methyl 4-[[3-(4-acetylanilino)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108969758
3-amino-2,2,3-trimethyl-N-quinoxalin-6-ylbutanamide
CID 65269314
N-(3-acetylphenyl)-N'-(4-acetylphenyl)-2,2-dimethylpropanediamide
CID 108969722
N-(4-acetylphenyl)-2,2-dimethyl-N'-propan-2-ylpropanediamide
CID 108957314
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
CID 65269739

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide?
The IUPAC name of N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide (CID 65269737) is N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide is CC(=O)c1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide?
The InChIKey is VIUZARQHHMETLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(18)11-6-8-12(9-7-11)17-13(19)14(2,3)15(4,5)16/h6-9H,16H2,1-5H3,(H,17,19).
What are the key properties of N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide?
N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide has a molecular weight of 262.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65269737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).