N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide

C25H30N2O2 — CID 18588683

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N2O2/c28-24(26-18-16-20-10-4-1-5-11-20)25(29)27-19-17-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-10,12-15,23H,1,4-5,11,16-19H2,(H,26,28)(H,27,29)
InChIKeyQBDUUPSLWMZTTC-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.33
Rot. Bonds8

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide (PubChem CID 18588683) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide
PubChem CID18588683
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H30N2O2/c28-24(26-18-16-20-10-4-1-5-11-20)25(29)27-19-17-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-10,12-15,23H,1,4-5,11,16-19H2,(H,26,28)(H,27,29)
InChIKeyQBDUUPSLWMZTTC-UHFFFAOYSA-N
XLogP4.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide (CID 18588683) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide is O=C(NCCC1=CCCCC1)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide?
The InChIKey is QBDUUPSLWMZTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-24(26-18-16-20-10-4-1-5-11-20)25(29)27-19-17-23(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h2-3,6-10,12-15,23H,1,4-5,11,16-19H2,(H,26,28)(H,27,29).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide has a molecular weight of 390.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,3-diphenylpropyl)oxamide is sourced from PubChem (CID 18588683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).