N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

C20H24N2O3 — CID 46200168

IUPACN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(/C=C/c1ccc(CNC(=O)C23CC4CC(CC2C4)C3)cc1)NO
InChIInChI=1S/C20H24N2O3/c23-18(22-25)6-5-13-1-3-14(4-2-13)12-21-19(24)20-10-15-7-16(11-20)9-17(20)8-15/h1-6,15-17,25H,7-12H2,(H,21,24)(H,22,23)/b6-5+
InChIKeyQCZWQCKECIUKKN-AATRIKPKSA-N
MW340.42 g/mol
LogP2.65
Rot. Bonds5

About N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 46200168) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID46200168
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(/C=C/c1ccc(CNC(=O)C23CC4CC(CC2C4)C3)cc1)NO
InChIInChI=1S/C20H24N2O3/c23-18(22-25)6-5-13-1-3-14(4-2-13)12-21-19(24)20-10-15-7-16(11-20)9-17(20)8-15/h1-6,15-17,25H,7-12H2,(H,21,24)(H,22,23)/b6-5+
InChIKeyQCZWQCKECIUKKN-AATRIKPKSA-N
XLogP2.65
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-[(1-adamantylmethylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46199539
(e)-3-(4-((((3r,5r,7r)-adamantan-1-ylmethyl)(methyl)amino)methyl)-phenyl)-N-hydroxyacrylamide
CID 46199695
(E)-N-hydroxy-3-[4-[(3-tricyclo[3.3.1.03,7]nonanylmethylamino)methyl]phenyl]prop-2-enamide
CID 46200169
4-[({[(1R,2R,5R)-6,6-dimethylbicyclo[3.1.1]heptan-2-yl]methyl}amino)methyl]-N-hydroxybenzamide
CID 145865296
N-hydroxy-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11323577
(E)-N-hydroxy-3-[4-[[1-(3-tricyclo[3.3.1.03,7]nonanyl)ethylamino]methyl]phenyl]prop-2-enamide
CID 73353363
N-(1-bicyclo[2.2.1]hept-2-ylethyl)-4-methylbenzamide
CID 2930917
Biphenyl-4-carboxylic acid (5-hydroxycarbamoyl-pentyl)-amide
CID 9862144
4-N-hydroxy-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 9965621
N-hydroxy-4-[[(4-phenylbenzoyl)amino]methyl]benzamide
CID 10172225
N-[[4-(hydroxycarbamoyl)cyclohexyl]methyl]-4-phenylbenzamide
CID 10215484
N-hydroxy-4-[(4-phenylbutanoylamino)methyl]benzamide
CID 11151102

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 46200168) is N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is O=C(/C=C/c1ccc(CNC(=O)C23CC4CC(CC2C4)C3)cc1)NO.
What is the InChIKey of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is QCZWQCKECIUKKN-AATRIKPKSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-18(22-25)6-5-13-1-3-14(4-2-13)12-21-19(24)20-10-15-7-16(11-20)9-17(20)8-15/h1-6,15-17,25H,7-12H2,(H,21,24)(H,22,23)/b6-5+.
What are the key properties of N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 46200168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).