(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide

C20H25NO2 — CID 8920748

IUPAC(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C20H25NO2/c22-18(21-17-5-4-15-2-1-3-16(15)7-17)19-8-13-6-14(9-19)11-20(23,10-13)12-19/h4-5,7,13-14,23H,1-3,6,8-12H2,(H,21,22)/t13-,14+,19?,20?
InChIKeyDOAAVIKITWJTBZ-LWYUSKRHSA-N
MW311.43 g/mol
LogP3.45
Rot. Bonds2

About (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide

(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide (PubChem CID 8920748) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound Name(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide
PubChem CID8920748
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C20H25NO2/c22-18(21-17-5-4-15-2-1-3-16(15)7-17)19-8-13-6-14(9-19)11-20(23,10-13)12-19/h4-5,7,13-14,23H,1-3,6,8-12H2,(H,21,22)/t13-,14+,19?,20?
InChIKeyDOAAVIKITWJTBZ-LWYUSKRHSA-N
XLogP3.45
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-3-(1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 4140666
3-(3-bromo-1,2,4-triazol-1-yl)-N-(2,3-dihydro-1H-inden-5-yl)adamantane-1-carboxamide
CID 4985430
1-(2,3-dihydro-1H-inden-5-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62095213
3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
CID 4835232
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
N-(2,3-dihydro-1H-inden-5-yl)-2-oxoacetamide
CID 115165888
3-chloro-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
CID 42906238
(5S,7R)-3-hydroxyadamantane-1-carbohydrazide
CID 24721604
2-N-(2,3-dihydro-1H-inden-5-yl)cyclobutane-1,2-dicarboxamide
CID 122134376
2-(2-bicyclo[2.2.1]heptanyl)-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 4811761
N-(2,3-dihydro-1H-inden-5-yl)-2-hydrazinyl-2-oxoacetamide
CID 43163947
N-[2-(2-methylpropanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]adamantane-1-carboxamide
CID 16943083

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide?
The IUPAC name of (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide (CID 8920748) is (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide?
The canonical SMILES for (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide is O=C(Nc1ccc2c(c1)CCC2)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide?
The InChIKey is DOAAVIKITWJTBZ-LWYUSKRHSA-N. The full InChI is InChI=1S/C20H25NO2/c22-18(21-17-5-4-15-2-1-3-16(15)7-17)19-8-13-6-14(9-19)11-20(23,10-13)12-19/h4-5,7,13-14,23H,1-3,6,8-12H2,(H,21,22)/t13-,14+,19?,20?.
What are the key properties of (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide?
(5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 8920748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).