2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide

C16H26N2O — CID 119796536

IUPAC2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
SMILESCC(CCC(C)(C)C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-12(9-10-16(2,3)4)18-15(19)11-13-5-7-14(17)8-6-13/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeySKBVBERTOYLPIN-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.14
Rot. Bonds5

About 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide

2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide (PubChem CID 119796536) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
PubChem CID119796536
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide
SMILESCC(CCC(C)(C)C)NC(=O)Cc1ccc(N)cc1
InChIInChI=1S/C16H26N2O/c1-12(9-10-16(2,3)4)18-15(19)11-13-5-7-14(17)8-6-13/h5-8,12H,9-11,17H2,1-4H3,(H,18,19)
InChIKeySKBVBERTOYLPIN-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(6-methylheptan-2-yl)acetamide;hydrochloride
CID 119673337
5-[[2-(4-aminophenyl)acetyl]amino]hexanoic acid
CID 82846901
2-[[2-(4-aminophenyl)acetyl]amino]-3,3-dimethylbutanamide
CID 119778141
2-[[2-(4-aminophenyl)acetyl]amino]-N-tert-butylpropanamide
CID 115597377
2-(4-aminophenyl)-N-(3-methylpentan-2-yl)acetamide
CID 54950191
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
2-(4-aminophenyl)-N-but-3-en-2-ylacetamide
CID 115739603
2-(4-aminophenyl)-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65103911
methyl 2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 43452000
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
sodium (2S)-2-[[2-(4-aminophenyl)acetyl]amino]-3-methylbutanoate
CID 126797103
2-(4-aminophenyl)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 60927303

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide (CID 119796536) is 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide is CC(CCC(C)(C)C)NC(=O)Cc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide?
The InChIKey is SKBVBERTOYLPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(9-10-16(2,3)4)18-15(19)11-13-5-7-14(17)8-6-13/h5-8,12H,9-11,17H2,1-4H3,(H,18,19).
What are the key properties of 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide?
2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide has a molecular weight of 262.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-(5,5-dimethylhexan-2-yl)acetamide is sourced from PubChem (CID 119796536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).