N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide

C21H27ClN2O2 — CID 4785962

IUPACN-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27ClN2O2/c1-24(13-17-4-2-3-5-18(17)22)19(25)12-23-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,23,26)
InChIKeyGREQUGKTLKQXHP-UHFFFAOYSA-N
MW374.91 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 4785962) has the molecular formula C21H27ClN2O2 and a molecular weight of 374.91 g/mol. Its IUPAC name is N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID4785962
Molecular FormulaC21H27ClN2O2
Molecular Weight374.91 g/mol
Exact Mass374.18
IUPAC NameN-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCN(Cc1ccccc1Cl)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27ClN2O2/c1-24(13-17-4-2-3-5-18(17)22)19(25)12-23-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,23,26)
InChIKeyGREQUGKTLKQXHP-UHFFFAOYSA-N
XLogP3.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 4785962) is N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide is CN(Cc1ccccc1Cl)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is GREQUGKTLKQXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2/c1-24(13-17-4-2-3-5-18(17)22)19(25)12-23-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,14-16H,6-13H2,1H3,(H,23,26).
What are the key properties of N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 374.91 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-chlorophenyl)methyl-methylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 4785962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).