(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide

C21H22N2O2 — CID 25269098

IUPAC(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C(/CNC2CC2)c2ccccc2)cc1)NO
InChIInChI=1S/C21H22N2O2/c24-21(23-25)13-10-16-6-8-17(9-7-16)14-19(15-22-20-11-12-20)18-4-2-1-3-5-18/h1-10,13-14,20,22,25H,11-12,15H2,(H,23,24)/b13-10+,19-14-
InChIKeyMSVKCELXTYNZEY-ANMLQGLPSA-N
MW334.42 g/mol
LogP3.50
Rot. Bonds7

About (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 25269098) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID25269098
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(/C=C(/CNC2CC2)c2ccccc2)cc1)NO
InChIInChI=1S/C21H22N2O2/c24-21(23-25)13-10-16-6-8-17(9-7-16)14-19(15-22-20-11-12-20)18-4-2-1-3-5-18/h1-10,13-14,20,22,25H,11-12,15H2,(H,23,24)/b13-10+,19-14-
InChIKeyMSVKCELXTYNZEY-ANMLQGLPSA-N
XLogP3.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.50
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-Phenethyl-3-phenyl-acrylamide
CID 795855
(E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
CID 163183792
6-(3,3-diphenylprop-2-enoylamino)-N-hydroxyhexanamide
CID 9903149
(E)-N-hydroxy-3-[4-[(3-phenylpropylamino)methyl]phenyl]prop-2-enamide
CID 11088199
(E)-N-cyclopropyl-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25266259
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-phenylprop-2-enamide
CID 25266610
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 25266611
(E)-N-cyclopropyl-2-(2-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25266950
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methylphenyl)prop-2-enamide
CID 25266953
(E)-N-cyclooctyl-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25267315
(E)-N-cyclopropyl-2-(3-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25267317
(E)-2-(4-fluorophenyl)-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-propan-2-ylprop-2-enamide
CID 25267662

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide (CID 25269098) is (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(/C=C(/CNC2CC2)c2ccccc2)cc1)NO.
What is the InChIKey of (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is MSVKCELXTYNZEY-ANMLQGLPSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(23-25)13-10-16-6-8-17(9-7-16)14-19(15-22-20-11-12-20)18-4-2-1-3-5-18/h1-10,13-14,20,22,25H,11-12,15H2,(H,23,24)/b13-10+,19-14-.
What are the key properties of (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 334.42 g/mol, XLogP of 3.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(E)-3-(cyclopropylamino)-2-phenylprop-1-enyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 25269098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).