2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide

C20H32N2O2 — CID 56570257

IUPAC2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide
SMILESCC(C)(C)C1CCCCC1NCC(=O)NCCOc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-20(2,3)17-11-7-8-12-18(17)22-15-19(23)21-13-14-24-16-9-5-4-6-10-16/h4-6,9-10,17-18,22H,7-8,11-15H2,1-3H3,(H,21,23)
InChIKeyNVUVHOKGFFEPMU-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.38
Rot. Bonds7

About 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide

2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide (PubChem CID 56570257) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide
PubChem CID56570257
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide
SMILESCC(C)(C)C1CCCCC1NCC(=O)NCCOc1ccccc1
InChIInChI=1S/C20H32N2O2/c1-20(2,3)17-11-7-8-12-18(17)22-15-19(23)21-13-14-24-16-9-5-4-6-10-16/h4-6,9-10,17-18,22H,7-8,11-15H2,1-3H3,(H,21,23)
InChIKeyNVUVHOKGFFEPMU-UHFFFAOYSA-N
XLogP3.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-benzyl-2-[(2-tert-butylcyclohexyl)amino]acetamide
CID 55868668
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570123
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
2-(2-phenoxyethylamino)cyclohexan-1-ol
CID 54943356
1-[(2S)-2-cyclopropyl-2-hydroxypropyl]-3-(2-phenoxyethyl)urea
CID 95986154
N-(3-phenoxypropyl)-2-(propan-2-ylamino)acetamide
CID 62378949
2-(oxolan-2-ylmethylamino)-N-(2-phenoxyethyl)acetamide
CID 119684520
N-[2-(cycloheptylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119620109
3-methylsulfanyl-N-(2-phenoxyethyl)propanamide
CID 112794610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide (CID 56570257) is 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide is CC(C)(C)C1CCCCC1NCC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide?
The InChIKey is NVUVHOKGFFEPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-20(2,3)17-11-7-8-12-18(17)22-15-19(23)21-13-14-24-16-9-5-4-6-10-16/h4-6,9-10,17-18,22H,7-8,11-15H2,1-3H3,(H,21,23).
What are the key properties of 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide?
2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide has a molecular weight of 332.49 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylcyclohexyl)amino]-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 56570257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).