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

C21H32N2O4 — CID 108529732

IUPACN'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)NC2CCCCCC2)cc1OCC
InChIInChI=1S/C21H32N2O4/c1-3-26-18-12-11-16(15-19(18)27-4-2)13-14-22-20(24)21(25)23-17-9-7-5-6-8-10-17/h11-12,15,17H,3-10,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYINOBGOALMAAHK-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.98
Rot. Bonds8

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

N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide (PubChem CID 108529732) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
PubChem CID108529732
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
SMILESCCOc1ccc(CCNC(=O)C(=O)NC2CCCCCC2)cc1OCC
InChIInChI=1S/C21H32N2O4/c1-3-26-18-12-11-16(15-19(18)27-4-2)13-14-22-20(24)21(25)23-17-9-7-5-6-8-10-17/h11-12,15,17H,3-10,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyYINOBGOALMAAHK-UHFFFAOYSA-N
XLogP2.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.98
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'-cyclohexyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide
CID 108504420
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'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide (CID 108529732) is N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide is CCOc1ccc(CCNC(=O)C(=O)NC2CCCCCC2)cc1OCC.
What is the InChIKey of N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
The InChIKey is YINOBGOALMAAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-3-26-18-12-11-16(15-19(18)27-4-2)13-14-22-20(24)21(25)23-17-9-7-5-6-8-10-17/h11-12,15,17H,3-10,13-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide?
N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide has a molecular weight of 376.50 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[2-(3,4-diethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108529732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).