N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide

C25H28N2O3 — CID 87384200

IUPACN-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
SMILESO=C(NO)c1ccc([C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c28-23(27-30)21-8-6-20(7-9-21)22(19-4-2-1-3-5-19)26-24(29)25-13-16-10-17(14-25)12-18(11-16)15-25/h1-9,16-18,22,30H,10-15H2,(H,26,29)(H,27,28)/t16?,17?,18?,22-,25?/m1/s1
InChIKeyQZRASLSBWBFMOC-DRQCUQGNSA-N
MW404.51 g/mol
LogP4.23
Rot. Bonds5

About N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide

N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide (PubChem CID 87384200) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
PubChem CID87384200
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
SMILESO=C(NO)c1ccc([C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O3/c28-23(27-30)21-8-6-20(7-9-21)22(19-4-2-1-3-5-19)26-24(29)25-13-16-10-17(14-25)12-18(11-16)15-25/h1-9,16-18,22,30H,10-15H2,(H,26,29)(H,27,28)/t16?,17?,18?,22-,25?/m1/s1
InChIKeyQZRASLSBWBFMOC-DRQCUQGNSA-N
XLogP4.23
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.23
H-Bond Donors ≤ 53
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-[(1S)-2-hydroxy-1-phenylethyl]adamantane-1-carboxamide
CID 110001874
N-[4-(benzhydrylamino)-4-oxobutyl]adamantane-1-carboxamide
CID 9398026
N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane
CID 158933616
N-[[4-(2-phenylpropylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 46612410
N-(benzenecarbonothioyl)adamantane-1-carboxamide
CID 135032274
N-[3-(1-phenylethylcarbamoyl)phenyl]adamantane-1-carboxamide
CID 54787602
N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]adamantane-1-carboxamide
CID 37354931
(5R,7R)-N'-benzoyl-3-chloroadamantane-1-carbohydrazide
CID 98390702
N-[(2S)-1-[2-(4-chlorobenzoyl)hydrazinyl]-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 9206826
2-(1-adamantyl)-2-benzamidoacetic acid
CID 2835966
4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide
CID 141108583
N-[4-oxo-4-[[phenyl(thiophen-2-yl)methyl]amino]butyl]adamantane-1-carboxamide
CID 24682641

Frequently Asked Questions

What is the IUPAC name of N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide?
The IUPAC name of N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide (CID 87384200) is N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide is O=C(NO)c1ccc([C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide?
The InChIKey is QZRASLSBWBFMOC-DRQCUQGNSA-N. The full InChI is InChI=1S/C25H28N2O3/c28-23(27-30)21-8-6-20(7-9-21)22(19-4-2-1-3-5-19)26-24(29)25-13-16-10-17(14-25)12-18(11-16)15-25/h1-9,16-18,22,30H,10-15H2,(H,26,29)(H,27,28)/t16?,17?,18?,22-,25?/m1/s1.
What are the key properties of N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide?
N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide is sourced from PubChem (CID 87384200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).