N-cyclopentyl-N'-(3-methoxyphenyl)oxamide

C14H18N2O3 — CID 7541556

IUPACN-cyclopentyl-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H18N2O3/c1-19-12-8-4-7-11(9-12)16-14(18)13(17)15-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyULFSZBOAAREUGH-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.69
Rot. Bonds3

About N-cyclopentyl-N'-(3-methoxyphenyl)oxamide

N-cyclopentyl-N'-(3-methoxyphenyl)oxamide (PubChem CID 7541556) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-cyclopentyl-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-cyclopentyl-N'-(3-methoxyphenyl)oxamide
PubChem CID7541556
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-cyclopentyl-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NC2CCCC2)c1
InChIInChI=1S/C14H18N2O3/c1-19-12-8-4-7-11(9-12)16-14(18)13(17)15-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,15,17)(H,16,18)
InChIKeyULFSZBOAAREUGH-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-cyclopentyl-N'-(3-methoxyphenyl)oxamide (CID 7541556) is N-cyclopentyl-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-cyclopentyl-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-cyclopentyl-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-N'-(3-methoxyphenyl)oxamide?
The InChIKey is ULFSZBOAAREUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-19-12-8-4-7-11(9-12)16-14(18)13(17)15-10-5-2-3-6-10/h4,7-10H,2-3,5-6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-cyclopentyl-N'-(3-methoxyphenyl)oxamide?
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide has a molecular weight of 262.31 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 7541556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).