N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide

C17H26N2O3 — CID 72719763

IUPACN'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NC2CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O3/c1-22-17(9-18-15(20)16(21)19-14-2-3-14)12-5-10-4-11(7-12)8-13(17)6-10/h10-14H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyJUPCVGMTEOXHDA-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.22
Rot. Bonds4

About N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide

N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide (PubChem CID 72719763) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide
PubChem CID72719763
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide
SMILESCOC1(CNC(=O)C(=O)NC2CC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H26N2O3/c1-22-17(9-18-15(20)16(21)19-14-2-3-14)12-5-10-4-11(7-12)8-13(17)6-10/h10-14H,2-9H2,1H3,(H,18,20)(H,19,21)
InChIKeyJUPCVGMTEOXHDA-UHFFFAOYSA-N
XLogP1.22
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.22
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'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The IUPAC name of N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide (CID 72719763) is N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide.
What is the SMILES notation for N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The canonical SMILES for N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide is COC1(CNC(=O)C(=O)NC2CC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
The InChIKey is JUPCVGMTEOXHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-22-17(9-18-15(20)16(21)19-14-2-3-14)12-5-10-4-11(7-12)8-13(17)6-10/h10-14H,2-9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide?
N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide has a molecular weight of 306.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-[(2-methoxy-2-adamantyl)methyl]oxamide is sourced from PubChem (CID 72719763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).