N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide

C20H30ClNO2 — CID 23142784

IUPACN-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide
SMILESCC(C)(C)C1CCC(c2ccccc2N(CCO)C(=O)CCl)CC1
InChIInChI=1S/C20H30ClNO2/c1-20(2,3)16-10-8-15(9-11-16)17-6-4-5-7-18(17)22(12-13-23)19(24)14-21/h4-7,15-16,23H,8-14H2,1-3H3
InChIKeyQSZOMDKCZKCGEG-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.57
Rot. Bonds5

About N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide

N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide (PubChem CID 23142784) has the molecular formula C20H30ClNO2 and a molecular weight of 351.92 g/mol. Its IUPAC name is N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide
PubChem CID23142784
Molecular FormulaC20H30ClNO2
Molecular Weight351.92 g/mol
Exact Mass351.20
IUPAC NameN-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide
SMILESCC(C)(C)C1CCC(c2ccccc2N(CCO)C(=O)CCl)CC1
InChIInChI=1S/C20H30ClNO2/c1-20(2,3)16-10-8-15(9-11-16)17-6-4-5-7-18(17)22(12-13-23)19(24)14-21/h4-7,15-16,23H,8-14H2,1-3H3
InChIKeyQSZOMDKCZKCGEG-UHFFFAOYSA-N
XLogP4.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide?
The IUPAC name of N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide (CID 23142784) is N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide is CC(C)(C)C1CCC(c2ccccc2N(CCO)C(=O)CCl)CC1.
What is the InChIKey of N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide?
The InChIKey is QSZOMDKCZKCGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClNO2/c1-20(2,3)16-10-8-15(9-11-16)17-6-4-5-7-18(17)22(12-13-23)19(24)14-21/h4-7,15-16,23H,8-14H2,1-3H3.
What are the key properties of N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide?
N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide has a molecular weight of 351.92 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylcyclohexyl)phenyl]-2-chloro-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23142784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).