N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide

C24H29NO2 — CID 90524399

IUPACN-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29NO2/c26-22(21-7-3-5-19-4-1-2-6-20(19)21)8-9-25-23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h1-7,16-18,22,26H,8-15H2,(H,25,27)
InChIKeyCWVNHJCZTSVAPP-UHFFFAOYSA-N
MW363.50 g/mol
LogP4.60
Rot. Bonds5

About N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide

N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide (PubChem CID 90524399) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide
PubChem CID90524399
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC NameN-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCC(O)c1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29NO2/c26-22(21-7-3-5-19-4-1-2-6-20(19)21)8-9-25-23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h1-7,16-18,22,26H,8-15H2,(H,25,27)
InChIKeyCWVNHJCZTSVAPP-UHFFFAOYSA-N
XLogP4.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-(3-hydroxy-3-naphthalen-1-ylpropyl)butanamide
CID 90524322
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2,2-diphenylacetamide
CID 90524453
N-(3-hydroxy-3-naphthalen-1-ylpropyl)thiophene-2-carboxamide
CID 90524337
1-(3-hydroxy-3-naphthalen-1-ylpropyl)-3-(2-phenylethyl)urea
CID 90524671
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-2-methoxyacetamide
CID 71787908
(2S)-4-(adamantane-1-carbonylamino)-2-hydroxybutanoic acid
CID 107833881
N-[2-(1-benzothiophen-3-yl)ethyl]adamantane-1-carboxamide
CID 112836999
N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
CID 171577010
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 90524448
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-N'-(4-methylphenyl)oxamide
CID 90524589

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide (CID 90524399) is N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide is O=C(NCCC(O)c1cccc2ccccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide?
The InChIKey is CWVNHJCZTSVAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2/c26-22(21-7-3-5-19-4-1-2-6-20(19)21)8-9-25-23(27)24-13-16-10-17(14-24)12-18(11-16)15-24/h1-7,16-18,22,26H,8-15H2,(H,25,27).
What are the key properties of N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide?
N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide has a molecular weight of 363.50 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-naphthalen-1-ylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 90524399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).