4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide

C18H22N2O3 — CID 141108583

IUPAC4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide
SMILESO=CN(c1ccc(C(=O)NO)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O3/c21-11-20(16-3-1-15(2-4-16)17(22)19-23)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,23H,5-10H2,(H,19,22)
InChIKeyDPRCHDRUGXPYSZ-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.74
Rot. Bonds4

About 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide

4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide (PubChem CID 141108583) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide
PubChem CID141108583
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide
SMILESO=CN(c1ccc(C(=O)NO)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22N2O3/c21-11-20(16-3-1-15(2-4-16)17(22)19-23)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,23H,5-10H2,(H,19,22)
InChIKeyDPRCHDRUGXPYSZ-UHFFFAOYSA-N
XLogP2.74
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(R)-[4-(hydroxycarbamoyl)phenyl]-phenylmethyl]adamantane-1-carboxamide
CID 87384200
N-(1-adamantyl)-N-(2,6-dimethylphenyl)formamide
CID 89421114
N-[2-(1-adamantyl)ethyl]-4-bromobenzamide
CID 2919468
4-[(1-adamantylmethylamino)methyl]-3-fluoro-N-hydroxybenzamide
CID 135357607
4-[[2-(1-adamantyl)ethylamino]methyl]-3-fluoro-N-hydroxybenzamide
CID 153453877
N-[1-[2-hydroxy-4-(hydroxycarbamoyl)phenyl]ethyl]adamantane-1-carboxamide;methane
CID 158933616
N-(1-adamantyl)-4-sulfanylbenzamide
CID 107019898
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
2-(1-adamantylmethyl)-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 155598270
4-[[1-(3-ethyl-7-methyl-3-bicyclo[3.3.1]nonanyl)ethyl-methylamino]methyl]-N-hydroxybenzamide
CID 146397920
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-4-bromobenzamide
CID 108550551
2-[(R)-cyclopropyl-[4-(hydroxycarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 140653067

Frequently Asked Questions

What is the IUPAC name of 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide?
The IUPAC name of 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide (CID 141108583) is 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide?
The canonical SMILES for 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide is O=CN(c1ccc(C(=O)NO)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide?
The InChIKey is DPRCHDRUGXPYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c21-11-20(16-3-1-15(2-4-16)17(22)19-23)18-8-12-5-13(9-18)7-14(6-12)10-18/h1-4,11-14,23H,5-10H2,(H,19,22).
What are the key properties of 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide?
4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide has a molecular weight of 314.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-adamantyl(formyl)amino]-N-hydroxybenzamide is sourced from PubChem (CID 141108583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).