N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide

C16H25NO2 — CID 81095770

IUPACN-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO2/c1-9(2)14(18)8-17-16(19)15-12-4-10-3-11(6-12)7-13(15)5-10/h9-13,15H,3-8H2,1-2H3,(H,17,19)
InChIKeyXLOOOXKVFWHFMX-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds4

About N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide

N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide (PubChem CID 81095770) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
PubChem CID81095770
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3-methyl-2-oxobutyl)adamantane-2-carboxamide
SMILESCC(C)C(=O)CNC(=O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H25NO2/c1-9(2)14(18)8-17-16(19)15-12-4-10-3-11(6-12)7-13(15)5-10/h9-13,15H,3-8H2,1-2H3,(H,17,19)
InChIKeyXLOOOXKVFWHFMX-UHFFFAOYSA-N
XLogP2.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide?
The IUPAC name of N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide (CID 81095770) is N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide.
What is the SMILES notation for N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide?
The canonical SMILES for N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide is CC(C)C(=O)CNC(=O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide?
The InChIKey is XLOOOXKVFWHFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-9(2)14(18)8-17-16(19)15-12-4-10-3-11(6-12)7-13(15)5-10/h9-13,15H,3-8H2,1-2H3,(H,17,19).
What are the key properties of N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide?
N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutyl)adamantane-2-carboxamide is sourced from PubChem (CID 81095770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).