N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide

C18H26N2O3 — CID 95346932

IUPACN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-13-8-10-15(11-9-13)20-18(23)17(22)19-12-16(21)14-6-4-3-5-7-14/h8-11,14,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyPQOXWROBWQMJTD-INIZCTEOSA-N
MW318.42 g/mol
LogP2.24
Rot. Bonds5

About N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide (PubChem CID 95346932) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
PubChem CID95346932
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3/c1-2-13-8-10-15(11-9-13)20-18(23)17(22)19-12-16(21)14-6-4-3-5-7-14/h8-11,14,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1
InChIKeyPQOXWROBWQMJTD-INIZCTEOSA-N
XLogP2.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate
CID 56764356
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
CID 95347120
N'-(4-ethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2291462
N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
N-(2,2-dimethoxyethyl)-N'-(4-ethylphenyl)oxamide
CID 7541582
N'-(4-ethylphenyl)-N-(2-hydroxy-3-phenylpropyl)oxamide
CID 90534548
N-(2-cyclopentyl-2-hydroxyethyl)-N'-cyclopropyloxamide
CID 111425530
N-(2-cyclohexyl-2-hydroxyethyl)-4-propylbenzamide
CID 90498765
N'-(4-ethylphenyl)-N-(4-methylcyclohexyl)oxamide
CID 124506867
N'-(4-ethylphenyl)-N-(2-hydroxy-2-thiophen-2-ylethyl)oxamide
CID 90500127
1-cyclobutyl-2-(4-ethylphenyl)ethanol
CID 64986891
N-(2-cyclohexyl-2-hydroxyethyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 56764347

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide?
The IUPAC name of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide (CID 95346932) is N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide.
What is the SMILES notation for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide?
The canonical SMILES for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCCCC2)cc1.
What is the InChIKey of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide?
The InChIKey is PQOXWROBWQMJTD-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-2-13-8-10-15(11-9-13)20-18(23)17(22)19-12-16(21)14-6-4-3-5-7-14/h8-11,14,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t16-/m0/s1.
What are the key properties of N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide?
N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide has a molecular weight of 318.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide is sourced from PubChem (CID 95346932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).