N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide

C24H28N2O2 — CID 166062124

IUPACN-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide
SMILESO=C(N(O)Cc1ccc(Nc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O2/c27-23(24-13-18-10-19(14-24)12-20(11-18)15-24)26(28)16-17-6-8-22(9-7-17)25-21-4-2-1-3-5-21/h1-9,18-20,25,28H,10-16H2
InChIKeyLGASRDLNTSNBHX-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.36
Rot. Bonds5

About N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide

N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide (PubChem CID 166062124) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide
PubChem CID166062124
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide
SMILESO=C(N(O)Cc1ccc(Nc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H28N2O2/c27-23(24-13-18-10-19(14-24)12-20(11-18)15-24)26(28)16-17-6-8-22(9-7-17)25-21-4-2-1-3-5-21/h1-9,18-20,25,28H,10-16H2
InChIKeyLGASRDLNTSNBHX-UHFFFAOYSA-N
XLogP5.36
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-anilino-2-methoxyphenyl)adamantane-1-carboxamide
CID 110179453
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 38747131
N-[2-[adamantane-1-carbonyl(1-adamantyl)amino]phenyl]-N-(1-adamantyl)adamantane-1-carboxamide
CID 171577021
N-[(1,1-dioxo-2,5-dihydrothiophen-3-yl)methyl]-N-phenyladamantane-1-carboxamide
CID 4686994
2,4-bis[(4-anilinophenyl)methyl-propylcarbamoyl]cyclobutane-1,3-dicarboxylic acid
CID 19048219
N-phenyl-N-propan-2-yladamantane-1-carboxamide
CID 20800672
2-[3-[4-(1-adamantyl)anilino]anilino]benzoic acid
CID 155133571
N-[1-[benzyl(2-hydroxyethyl)amino]-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide
CID 78798058
N-(benzylideneamino)adamantane-1-carboxamide
CID 2837531
1-(1-adamantyl)-2-[(triphenyl-λ5-phosphanylidene)amino]ethanone
CID 4135327
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
N-[4-[ethyl(phenyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 54787600

Frequently Asked Questions

What is the IUPAC name of N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide?
The IUPAC name of N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide (CID 166062124) is N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide.
What is the SMILES notation for N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide?
The canonical SMILES for N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide is O=C(N(O)Cc1ccc(Nc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide?
The InChIKey is LGASRDLNTSNBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c27-23(24-13-18-10-19(14-24)12-20(11-18)15-24)26(28)16-17-6-8-22(9-7-17)25-21-4-2-1-3-5-21/h1-9,18-20,25,28H,10-16H2.
What are the key properties of N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide?
N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-anilinophenyl)methyl]-N-hydroxyadamantane-1-carboxamide is sourced from PubChem (CID 166062124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).