3-(2-amino-2-oxoethyl)adamantane-1-carboxamide

C13H20N2O2 — CID 3453192

IUPAC3-(2-amino-2-oxoethyl)adamantane-1-carboxamide
SMILESNC(=O)CC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C13H20N2O2/c14-10(16)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(15)17/h8-9H,1-7H2,(H2,14,16)(H2,15,17)
InChIKeyOYRMCDUFNWKPSY-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.93
Rot. Bonds3

About 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide

3-(2-amino-2-oxoethyl)adamantane-1-carboxamide (PubChem CID 3453192) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-(2-amino-2-oxoethyl)adamantane-1-carboxamide
PubChem CID3453192
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-(2-amino-2-oxoethyl)adamantane-1-carboxamide
SMILESNC(=O)CC12CC3CC(C1)CC(C(N)=O)(C3)C2
InChIInChI=1S/C13H20N2O2/c14-10(16)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(15)17/h8-9H,1-7H2,(H2,14,16)(H2,15,17)
InChIKeyOYRMCDUFNWKPSY-UHFFFAOYSA-N
XLogP0.93
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide?
The IUPAC name of 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide (CID 3453192) is 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide?
The canonical SMILES for 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide is NC(=O)CC12CC3CC(C1)CC(C(N)=O)(C3)C2.
What is the InChIKey of 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide?
The InChIKey is OYRMCDUFNWKPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-10(16)6-12-2-8-1-9(3-12)5-13(4-8,7-12)11(15)17/h8-9H,1-7H2,(H2,14,16)(H2,15,17).
What are the key properties of 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide?
3-(2-amino-2-oxoethyl)adamantane-1-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-oxoethyl)adamantane-1-carboxamide is sourced from PubChem (CID 3453192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).