N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide

C23H34N2O — CID 39951386

IUPACN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
SMILESCCc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1
InChIInChI=1S/C23H34N2O/c1-4-16-5-7-20(8-6-16)21(25(2)3)15-24-22(26)23-12-17-9-18(13-23)11-19(10-17)14-23/h5-8,17-19,21H,4,9-15H2,1-3H3,(H,24,26)/t17?,18?,19?,21-,23?/m0/s1
InChIKeyIPEAZZLYNKBUBT-FCSDKFEESA-N
MW354.54 g/mol
LogP4.18
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide

N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide (PubChem CID 39951386) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
PubChem CID39951386
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC NameN-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide
SMILESCCc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1
InChIInChI=1S/C23H34N2O/c1-4-16-5-7-20(8-6-16)21(25(2)3)15-24-22(26)23-12-17-9-18(13-23)11-19(10-17)14-23/h5-8,17-19,21H,4,9-15H2,1-3H3,(H,24,26)/t17?,18?,19?,21-,23?/m0/s1
InChIKeyIPEAZZLYNKBUBT-FCSDKFEESA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 46450389
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]adamantane-1-carboxamide
CID 90557931
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]adamantane-1-carboxamide
CID 4807610
(5R,7R)-3-bromo-N-[(2S)-2-(dimethylamino)-2-phenylethyl]adamantane-1-carboxamide
CID 99848104
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide
CID 98598979
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]cyclohexanecarboxamide
CID 46529103
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]acetamide;dihydrochloride
CID 119831119
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119831132
(2R)-2-amino-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]propanamide;dihydrochloride
CID 119831113
(5S,7R)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 51585058
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111504017
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(pyridin-2-ylmethyl)urea
CID 134061146

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide (CID 39951386) is N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide is CCc1ccc([C@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)N(C)C)cc1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide?
The InChIKey is IPEAZZLYNKBUBT-FCSDKFEESA-N. The full InChI is InChI=1S/C23H34N2O/c1-4-16-5-7-20(8-6-16)21(25(2)3)15-24-22(26)23-12-17-9-18(13-23)11-19(10-17)14-23/h5-8,17-19,21H,4,9-15H2,1-3H3,(H,24,26)/t17?,18?,19?,21-,23?/m0/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide?
N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide has a molecular weight of 354.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 39951386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).