N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide

C20H30N2O4 — CID 108504420

IUPACN'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)NC2CCCCC2)cc1OCC
InChIInChI=1S/C20H30N2O4/c1-3-25-17-11-10-15(14-18(17)26-4-2)12-13-21-19(23)20(24)22-16-8-6-5-7-9-16/h10-11,14,16H,3-9,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyURVATZXDCDBOEY-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.59
Rot. Bonds8

About N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide

N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide (PubChem CID 108504420) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
PubChem CID108504420
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)NC2CCCCC2)cc1OCC
InChIInChI=1S/C20H30N2O4/c1-3-25-17-11-10-15(14-18(17)26-4-2)12-13-21-19(23)20(24)22-16-8-6-5-7-9-16/h10-11,14,16H,3-9,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyURVATZXDCDBOEY-UHFFFAOYSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108529732
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
1-cyclopropyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108887610
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517275
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
1-cyclohexyl-3-[(3,4-diethoxyphenyl)methyl]thiourea
CID 17267900
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518152
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N'-cyclododecyl-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108517458
2-(cyclohexylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 23632472

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide (CID 108504420) is N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide is CCOc1ccc(CCNC(=O)C(=O)NC2CCCCC2)cc1OCC.
What is the InChIKey of N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
The InChIKey is URVATZXDCDBOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-3-25-17-11-10-15(14-18(17)26-4-2)12-13-21-19(23)20(24)22-16-8-6-5-7-9-16/h10-11,14,16H,3-9,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide has a molecular weight of 362.47 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108504420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).