N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide

C21H28N2O3 — CID 95379571

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C21H28N2O3/c24-19(22-14-13-16-7-3-1-4-8-16)20(25)23-15-21(26,18-11-12-18)17-9-5-2-6-10-17/h2,5-7,9-10,18,26H,1,3-4,8,11-15H2,(H,22,24)(H,23,25)/t21-/m1/s1
InChIKeyGVEIAMVRBPXXNB-OAQYLSRUSA-N
MW356.47 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide (PubChem CID 95379571) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide
PubChem CID95379571
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccccc1)C1CC1
InChIInChI=1S/C21H28N2O3/c24-19(22-14-13-16-7-3-1-4-8-16)20(25)23-15-21(26,18-11-12-18)17-9-5-2-6-10-17/h2,5-7,9-10,18,26H,1,3-4,8,11-15H2,(H,22,24)(H,23,25)/t21-/m1/s1
InChIKeyGVEIAMVRBPXXNB-OAQYLSRUSA-N
XLogP2.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide (CID 95379571) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide is O=C(NCCC1=CCCCC1)C(=O)NC[C@@](O)(c1ccccc1)C1CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide?
The InChIKey is GVEIAMVRBPXXNB-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-19(22-14-13-16-7-3-1-4-8-16)20(25)23-15-21(26,18-11-12-18)17-9-5-2-6-10-17/h2,5-7,9-10,18,26H,1,3-4,8,11-15H2,(H,22,24)(H,23,25)/t21-/m1/s1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide has a molecular weight of 356.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]oxamide is sourced from PubChem (CID 95379571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).