N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide

C17H24N2O4 — CID 73168553

IUPACN'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)NC2CCCC2)OC)c1
InChIInChI=1S/C17H24N2O4/c1-22-14-9-5-6-12(10-14)15(23-2)11-18-16(20)17(21)19-13-7-3-4-8-13/h5-6,9-10,13,15H,3-4,7-8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVICXIDCBMNMTOQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.56
Rot. Bonds6

About N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide

N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide (PubChem CID 73168553) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
PubChem CID73168553
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
SMILESCOc1cccc(C(CNC(=O)C(=O)NC2CCCC2)OC)c1
InChIInChI=1S/C17H24N2O4/c1-22-14-9-5-6-12(10-14)15(23-2)11-18-16(20)17(21)19-13-7-3-4-8-13/h5-6,9-10,13,15H,3-4,7-8,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVICXIDCBMNMTOQ-UHFFFAOYSA-N
XLogP1.56
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.56
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'-cyclopropyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 73168551
1-[(2S)-2-methoxy-2-(3-methoxyphenyl)ethyl]-3-(oxan-4-yl)urea
CID 100678238
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 73168488
N'-(2,6-dimethylphenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623559
N'-(4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623549
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cycloheptyloxamide
CID 90623941
N-[2-(2-chlorophenyl)-2-methoxyethyl]-N'-cyclohexyloxamide
CID 90623934
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
N-(1,3-benzodioxol-5-ylmethyl)-N'-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623597
N-[2-methoxy-2-(3-methoxyphenyl)ethyl]cyclohexanesulfonamide
CID 90623438
4-ethyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623280
N'-(3-chloro-4-fluorophenyl)-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide
CID 90623593

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide (CID 73168553) is N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide is COc1cccc(C(CNC(=O)C(=O)NC2CCCC2)OC)c1.
What is the InChIKey of N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
The InChIKey is VICXIDCBMNMTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-22-14-9-5-6-12(10-14)15(23-2)11-18-16(20)17(21)19-13-7-3-4-8-13/h5-6,9-10,13,15H,3-4,7-8,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide?
N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide has a molecular weight of 320.39 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 73168553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).