N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide

C19H26N4O2 — CID 75394824

IUPACN-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide
SMILESCCc1ncc(NC(=O)C(=O)NCC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C19H26N4O2/c1-2-17-20-8-15(9-21-17)23-19(25)18(24)22-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,2-7,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyGQNHCOYRPKIHTK-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds4

About N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide

N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide (PubChem CID 75394824) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide.

Molecular Properties

Compound NameN-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide
PubChem CID75394824
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide
SMILESCCc1ncc(NC(=O)C(=O)NCC2C3CC4CC(C3)CC2C4)cn1
InChIInChI=1S/C19H26N4O2/c1-2-17-20-8-15(9-21-17)23-19(25)18(24)22-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,2-7,10H2,1H3,(H,22,24)(H,23,25)
InChIKeyGQNHCOYRPKIHTK-UHFFFAOYSA-N
XLogP2.17
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide?
The IUPAC name of N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide (CID 75394824) is N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide.
What is the SMILES notation for N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide?
The canonical SMILES for N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide is CCc1ncc(NC(=O)C(=O)NCC2C3CC4CC(C3)CC2C4)cn1.
What is the InChIKey of N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide?
The InChIKey is GQNHCOYRPKIHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-17-20-8-15(9-21-17)23-19(25)18(24)22-10-16-13-4-11-3-12(6-13)7-14(16)5-11/h8-9,11-14,16H,2-7,10H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide?
N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide has a molecular weight of 342.44 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantylmethyl)-N'-(2-ethylpyrimidin-5-yl)oxamide is sourced from PubChem (CID 75394824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).