N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide

C20H27N3O3 — CID 87039300

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H27N3O3/c24-19(21-10-9-16-5-2-1-3-6-16)20(25)22-17-7-4-8-18(15-17)23-11-13-26-14-12-23/h4-5,7-8,15H,1-3,6,9-14H2,(H,21,24)(H,22,25)
InChIKeyBLFIIWQQPZIZNC-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.47
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide (PubChem CID 87039300) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
PubChem CID87039300
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide
SMILESO=C(NCCC1=CCCCC1)C(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C20H27N3O3/c24-19(21-10-9-16-5-2-1-3-6-16)20(25)22-17-7-4-8-18(15-17)23-11-13-26-14-12-23/h4-5,7-8,15H,1-3,6,9-14H2,(H,21,24)(H,22,25)
InChIKeyBLFIIWQQPZIZNC-UHFFFAOYSA-N
XLogP2.47
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
N-[2-(cyclohexen-1-yl)ethyl]-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108984207
N-[2-(cyclohexen-1-yl)ethyl]-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetamide
CID 8592880
N'-(1,3-benzodioxol-5-yl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2917290
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109052413
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54815513
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3,4-dimethoxyphenyl)oxamide
CID 7585267
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-(morpholine-4-carbonyl)anilino]acetamide
CID 54836739
N-[3-(3-methylpiperidin-1-yl)propyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87039625
N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584397
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109095559
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide (CID 87039300) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide is O=C(NCCC1=CCCCC1)C(=O)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
The InChIKey is BLFIIWQQPZIZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c24-19(21-10-9-16-5-2-1-3-6-16)20(25)22-17-7-4-8-18(15-17)23-11-13-26-14-12-23/h4-5,7-8,15H,1-3,6,9-14H2,(H,21,24)(H,22,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide has a molecular weight of 357.45 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(3-morpholin-4-ylphenyl)oxamide is sourced from PubChem (CID 87039300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).