N'-cycloheptyl-N-(3-methoxypropyl)oxamide

C13H24N2O3 — CID 2914308

IUPACN'-cycloheptyl-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3/c1-18-10-6-9-14-12(16)13(17)15-11-7-4-2-3-5-8-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyDOLHTLZULSGNRZ-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds5

About N'-cycloheptyl-N-(3-methoxypropyl)oxamide

N'-cycloheptyl-N-(3-methoxypropyl)oxamide (PubChem CID 2914308) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-cycloheptyl-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(3-methoxypropyl)oxamide
PubChem CID2914308
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN'-cycloheptyl-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3/c1-18-10-6-9-14-12(16)13(17)15-11-7-4-2-3-5-8-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17)
InChIKeyDOLHTLZULSGNRZ-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-cycloheptyl-N-(3-methoxypropyl)oxamide (CID 2914308) is N'-cycloheptyl-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-cycloheptyl-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-cycloheptyl-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(3-methoxypropyl)oxamide?
The InChIKey is DOLHTLZULSGNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-18-10-6-9-14-12(16)13(17)15-11-7-4-2-3-5-8-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N'-cycloheptyl-N-(3-methoxypropyl)oxamide?
N'-cycloheptyl-N-(3-methoxypropyl)oxamide has a molecular weight of 256.35 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 2914308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).