(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide

C21H29NO2 — CID 6595849

IUPAC(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1
InChIInChI=1S/C21H29NO2/c1-4-24-17-7-5-16(6-8-17)22-18(23)21-11-15-9-19(2,13-21)12-20(3,10-15)14-21/h5-8,15H,4,9-14H2,1-3H3,(H,22,23)/t15?,19-,20-,21?/m1/s1
InChIKeyKOXRZHDZFMOEBP-LDEVPTQISA-N
MW327.47 g/mol
LogP5.02
Rot. Bonds4

About (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide

(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide (PubChem CID 6595849) has the molecular formula C21H29NO2 and a molecular weight of 327.47 g/mol. Its IUPAC name is (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
PubChem CID6595849
Molecular FormulaC21H29NO2
Molecular Weight327.47 g/mol
Exact Mass327.22
IUPAC Name(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide
SMILESCCOc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1
InChIInChI=1S/C21H29NO2/c1-4-24-17-7-5-16(6-8-17)22-18(23)21-11-15-9-19(2,13-21)12-20(3,10-15)14-21/h5-8,15H,4,9-14H2,1-3H3,(H,22,23)/t15?,19-,20-,21?/m1/s1
InChIKeyKOXRZHDZFMOEBP-LDEVPTQISA-N
XLogP5.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 4231601
N-(3-acetamidophenyl)-3,5-dimethyladamantane-1-carboxamide
CID 17168267
3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)adamantane-1-carboxamide
CID 112791210
(1R,2R,4R)-N-(4-ethoxyphenyl)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 900167
N-[2-[(4-ethoxyphenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787396
N-(4-ethoxyphenyl)-3-ethylpyrrolidine-3-carboxamide
CID 63140867
3,5-dimethyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]adamantane-1-carboxamide
CID 112819409
N-(4-ethoxyphenyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119670703
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
(3R,5S)-3,5-dimethyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]adamantane-1-carboxamide
CID 1348595
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,5-dimethyladamantane-1-carboxamide
CID 112843362
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]adamantane-1-carboxamide
CID 32937893

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide?
The IUPAC name of (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide (CID 6595849) is (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide?
The canonical SMILES for (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide is CCOc1ccc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)cc1.
What is the InChIKey of (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide?
The InChIKey is KOXRZHDZFMOEBP-LDEVPTQISA-N. The full InChI is InChI=1S/C21H29NO2/c1-4-24-17-7-5-16(6-8-17)22-18(23)21-11-15-9-19(2,13-21)12-20(3,10-15)14-21/h5-8,15H,4,9-14H2,1-3H3,(H,22,23)/t15?,19-,20-,21?/m1/s1.
What are the key properties of (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide?
(3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide has a molecular weight of 327.47 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-(4-ethoxyphenyl)-3,5-dimethyladamantane-1-carboxamide is sourced from PubChem (CID 6595849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).