N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide

C18H26N2O4 — CID 95347120

IUPACN-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-24-15-10-8-14(9-11-15)20-18(23)17(22)19-12-16(21)13-6-4-3-5-7-13/h8-11,13,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyBHFXOQNTWFENRG-MRXNPFEDSA-N
MW334.42 g/mol
LogP2.08
Rot. Bonds6

About N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide

N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide (PubChem CID 95347120) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
PubChem CID95347120
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cc1
InChIInChI=1S/C18H26N2O4/c1-2-24-15-10-8-14(9-11-15)20-18(23)17(22)19-12-16(21)13-6-4-3-5-7-13/h8-11,13,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1
InChIKeyBHFXOQNTWFENRG-MRXNPFEDSA-N
XLogP2.08
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethylphenyl)oxamide
CID 95346932
methyl 4-[[2-[(2-cyclohexyl-2-hydroxyethyl)amino]-2-oxoacetyl]amino]benzoate
CID 56764356
N-(cyclohexylmethyl)-N'-(4-ethoxyphenyl)oxamide
CID 2988776
2-(cyclohexylamino)-N-(4-ethoxyphenyl)-2-sulfanylideneacetamide
CID 2975664
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-ethoxyphenyl)sulfanylacetamide
CID 63298611
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748
N'-(4-ethoxyphenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]oxamide
CID 90496926

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
The IUPAC name of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide (CID 95347120) is N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
The InChIKey is BHFXOQNTWFENRG-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-2-24-15-10-8-14(9-11-15)20-18(23)17(22)19-12-16(21)13-6-4-3-5-7-13/h8-11,13,16,21H,2-7,12H2,1H3,(H,19,22)(H,20,23)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide?
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide has a molecular weight of 334.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-N'-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 95347120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).