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

C12H22N2O3 — CID 45497335

IUPACN'-cycloheptyl-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O3/c15-9-5-8-13-11(16)12(17)14-10-6-3-1-2-4-7-10/h10,15H,1-9H2,(H,13,16)(H,14,17)
InChIKeyDKBSWMNOQLHWKG-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.32
Rot. Bonds4

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

N'-cycloheptyl-N-(3-hydroxypropyl)oxamide (PubChem CID 45497335) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-cycloheptyl-N-(3-hydroxypropyl)oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-(3-hydroxypropyl)oxamide
PubChem CID45497335
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN'-cycloheptyl-N-(3-hydroxypropyl)oxamide
SMILESO=C(NCCCO)C(=O)NC1CCCCCC1
InChIInChI=1S/C12H22N2O3/c15-9-5-8-13-11(16)12(17)14-10-6-3-1-2-4-7-10/h10,15H,1-9H2,(H,13,16)(H,14,17)
InChIKeyDKBSWMNOQLHWKG-UHFFFAOYSA-N
XLogP0.32
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
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-hydroxypropyl)oxamide?
The IUPAC name of N'-cycloheptyl-N-(3-hydroxypropyl)oxamide (CID 45497335) is N'-cycloheptyl-N-(3-hydroxypropyl)oxamide.
What is the SMILES notation for N'-cycloheptyl-N-(3-hydroxypropyl)oxamide?
The canonical SMILES for N'-cycloheptyl-N-(3-hydroxypropyl)oxamide is O=C(NCCCO)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-(3-hydroxypropyl)oxamide?
The InChIKey is DKBSWMNOQLHWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c15-9-5-8-13-11(16)12(17)14-10-6-3-1-2-4-7-10/h10,15H,1-9H2,(H,13,16)(H,14,17).
What are the key properties of N'-cycloheptyl-N-(3-hydroxypropyl)oxamide?
N'-cycloheptyl-N-(3-hydroxypropyl)oxamide has a molecular weight of 242.32 g/mol, XLogP of 0.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-(3-hydroxypropyl)oxamide is sourced from PubChem (CID 45497335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).