N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide

C20H23N3O2 — CID 18588781

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCC2=CCCCC2)c2ccccc2n1
InChIInChI=1S/C20H23N3O2/c1-14-13-18(16-9-5-6-10-17(16)22-14)23-20(25)19(24)21-12-11-15-7-3-2-4-8-15/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyXHKNXBKYCLLNFJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.49
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide (PubChem CID 18588781) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
PubChem CID18588781
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
SMILESCc1cc(NC(=O)C(=O)NCCC2=CCCCC2)c2ccccc2n1
InChIInChI=1S/C20H23N3O2/c1-14-13-18(16-9-5-6-10-17(16)22-14)23-20(25)19(24)21-12-11-15-7-3-2-4-8-15/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,21,24)(H,22,23,25)
InChIKeyXHKNXBKYCLLNFJ-UHFFFAOYSA-N
XLogP3.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
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

N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 16891935
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86995621
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108984196
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-4-methylfuro[3,2-c]quinoline-2-carboxamide
CID 20868521
N-[2-(cyclohexen-1-yl)ethyl]-6-(2-methylquinoline-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45198979
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198
N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide
CID 43917175
4-N-[2-(cyclohexen-1-yl)ethyl]-2-methylquinoline-4,6-diamine
CID 107846198
N-[2-(cyclohexen-1-yl)ethyl]-2-(naphthalen-1-yloxymethyl)prop-2-enamide
CID 141207877
N'-benzyl-N-[2-(cyclohexen-1-yl)ethyl]propanediamide
CID 108942883

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide (CID 18588781) is N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide is Cc1cc(NC(=O)C(=O)NCCC2=CCCCC2)c2ccccc2n1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide?
The InChIKey is XHKNXBKYCLLNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-13-18(16-9-5-6-10-17(16)22-14)23-20(25)19(24)21-12-11-15-7-3-2-4-8-15/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,21,24)(H,22,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide has a molecular weight of 337.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide is sourced from PubChem (CID 18588781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).