N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide

C21H28N2O2 — CID 4878144

IUPACN-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O2/c1-23(14-15-5-3-2-4-6-15)19(24)13-22-20(25)21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,16-18H,7-14H2,1H3,(H,22,25)
InChIKeyCEDZFKIUYMCPCK-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.98
Rot. Bonds5

About N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 4878144) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID4878144
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(Cc1ccccc1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H28N2O2/c1-23(14-15-5-3-2-4-6-15)19(24)13-22-20(25)21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,16-18H,7-14H2,1H3,(H,22,25)
InChIKeyCEDZFKIUYMCPCK-UHFFFAOYSA-N
XLogP2.98
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide (CID 4878144) is N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide is CN(Cc1ccccc1)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is CEDZFKIUYMCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-23(14-15-5-3-2-4-6-15)19(24)13-22-20(25)21-10-16-7-17(11-21)9-18(8-16)12-21/h2-6,16-18H,7-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4878144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).