2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide

C16H24N2O — CID 79855624

IUPAC2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCCCC1NC(=O)Cc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-16(2)10-6-5-9-14(16)18-15(19)11-12-7-3-4-8-13(12)17/h3-4,7-8,14H,5-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyPKSXFWNAZGMHRN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.90
Rot. Bonds3

About 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide

2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide (PubChem CID 79855624) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
PubChem CID79855624
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCCCC1NC(=O)Cc1ccccc1N
InChIInChI=1S/C16H24N2O/c1-16(2)10-6-5-9-14(16)18-15(19)11-12-7-3-4-8-13(12)17/h3-4,7-8,14H,5-6,9-11,17H2,1-2H3,(H,18,19)
InChIKeyPKSXFWNAZGMHRN-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide (CID 79855624) is 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide is CC1(C)CCCCC1NC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide?
The InChIKey is PKSXFWNAZGMHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-16(2)10-6-5-9-14(16)18-15(19)11-12-7-3-4-8-13(12)17/h3-4,7-8,14H,5-6,9-11,17H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide?
2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 79855624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).