N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide

C16H20N2O2 — CID 43917175

IUPACN-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC1=CCCCC1
InChIInChI=1S/C16H20N2O2/c1-12-7-5-6-10-14(12)18-16(20)15(19)17-11-13-8-3-2-4-9-13/h5-8,10H,2-4,9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyUCMPUCYZTCSGII-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.55
Rot. Bonds3

About N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide

N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide (PubChem CID 43917175) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide
PubChem CID43917175
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCC1=CCCCC1
InChIInChI=1S/C16H20N2O2/c1-12-7-5-6-10-14(12)18-16(20)15(19)17-11-13-8-3-2-4-9-13/h5-8,10H,2-4,9,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyUCMPUCYZTCSGII-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.55
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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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(dimethylamino)phenyl]oxamide
CID 86995621
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-methylquinolin-4-yl)oxamide
CID 18588781
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108984196
N-[2-(cyclohexen-1-yl)ethyl]-2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]acetamide
CID 8810032
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-[2-(2-methylanilino)-2-oxoethyl]-propylazanium
CID 8810031
N-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 166215063
N-[[2-[ethyl(methyl)amino]phenyl]methyl]-N'-(2-methylphenyl)oxamide
CID 56803385
1-[2-(cyclohexen-1-yl)ethyl]-3-(2,6-dimethylphenyl)urea
CID 4995212
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108959365
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
N'-(3-acetylphenyl)-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 108984198

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide (CID 43917175) is N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCC1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide?
The InChIKey is UCMPUCYZTCSGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-7-5-6-10-14(12)18-16(20)15(19)17-11-13-8-3-2-4-9-13/h5-8,10H,2-4,9,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide?
N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide has a molecular weight of 272.35 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-ylmethyl)-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 43917175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).