(E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide

C17H23FN2O2 — CID 122550499

IUPAC(E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCC2CCCCC2)c(F)c1)NO
InChIInChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+
InChIKeyNGTLBSGOPOBCFZ-VQHVLOKHSA-N
MW306.38 g/mol
LogP3.01
Rot. Bonds6

About (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide (PubChem CID 122550499) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
PubChem CID122550499
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(CNCC2CCCCC2)c(F)c1)NO
InChIInChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+
InChIKeyNGTLBSGOPOBCFZ-VQHVLOKHSA-N
XLogP3.01
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 53.01
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-[[2-(2-adamantyl)ethylamino]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 45257238
(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-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
CID 163183792
4-N-hydroxy-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 9965621
(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
CID 11088199
N-hydroxy-4-[(4-phenylbutanoylamino)methyl]benzamide
CID 11151102
(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-methylprop-2-enamide
CID 25266260
(E)-3-[4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)prop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25269097
(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
CID 25269098
(2E)-3-{4-[(adamant-1-ylamino)methyl]phenyl}-N-hydroxy acrylamide
CID 46199387
(E)-3-[4-[(2-adamantylamino)methyl]phenyl]-N-hydroxyprop-2-enamide
CID 46200016

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide (CID 122550499) is (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(CNCC2CCCCC2)c(F)c1)NO.
What is the InChIKey of (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide?
The InChIKey is NGTLBSGOPOBCFZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C17H23FN2O2/c18-16-10-13(7-9-17(21)20-22)6-8-15(16)12-19-11-14-4-2-1-3-5-14/h6-10,14,19,22H,1-5,11-12H2,(H,20,21)/b9-7+.
What are the key properties of (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide has a molecular weight of 306.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(cyclohexylmethylamino)methyl]-3-fluorophenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 122550499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).