N-(4-acetylphenyl)adamantane-1-carboxamide

C19H23NO2 — CID 2836424

IUPACN-(4-acetylphenyl)adamantane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H23NO2/c1-12(21)16-2-4-17(5-3-16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)
InChIKeyZTMRQHBDPMLFHM-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.04
Rot. Bonds3

About N-(4-acetylphenyl)adamantane-1-carboxamide

N-(4-acetylphenyl)adamantane-1-carboxamide (PubChem CID 2836424) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)adamantane-1-carboxamide
PubChem CID2836424
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-(4-acetylphenyl)adamantane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H23NO2/c1-12(21)16-2-4-17(5-3-16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22)
InChIKeyZTMRQHBDPMLFHM-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carbonyl]amino]benzoic acid
CID 6990096
N-(4-trimethylsilylphenyl)adamantane-1-carboxamide
CID 171577278
(3S,6R)-N-(4-methylphenyl)tricyclo[4.3.1.13,8]undecane-1-carboxamide
CID 762997
N-(4-formylphenyl)adamantane-1-carboxamide
CID 106912217
N-(4-formamidophenyl)adamantane-1-carboxamide
CID 168653489
N-[4-(butanoylamino)phenyl]adamantane-1-carboxamide
CID 54787349
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 7514363
N-[4-(morpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 3152021
N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787600
4-[4-(adamantane-1-carbonylamino)phenyl]-4-hydroxyiminobutanoic acid
CID 74014503
N-[4-[(4-methoxyphenyl)methylcarbamoyl]phenyl]adamantane-1-carboxamide
CID 8572532
N-(4-acetylphenyl)-3-(adamantane-1-carbonyl)-4,5-dihydro-1H-pyrazole-5-carboxamide
CID 4901967

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)adamantane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)adamantane-1-carboxamide (CID 2836424) is N-(4-acetylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)adamantane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)adamantane-1-carboxamide is CC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-(4-acetylphenyl)adamantane-1-carboxamide?
The InChIKey is ZTMRQHBDPMLFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12(21)16-2-4-17(5-3-16)20-18(22)19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-11H2,1H3,(H,20,22).
What are the key properties of N-(4-acetylphenyl)adamantane-1-carboxamide?
N-(4-acetylphenyl)adamantane-1-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 2836424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).