(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide

C24H28N2O3 — CID 89330262

IUPAC(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide
SMILESCCCN(CC(C)c1ccccc1)C(=O)/C=C/c1cccc(/C=C/C(=O)NO)c1
InChIInChI=1S/C24H28N2O3/c1-3-16-26(18-19(2)22-10-5-4-6-11-22)24(28)15-13-21-9-7-8-20(17-21)12-14-23(27)25-29/h4-15,17,19,29H,3,16,18H2,1-2H3,(H,25,27)/b14-12+,15-13+
InChIKeyJANYYYWEJPXEGB-QUMQEAAQSA-N
MW392.50 g/mol
LogP4.26
Rot. Bonds9

About (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide

(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide (PubChem CID 89330262) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide
PubChem CID89330262
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide
SMILESCCCN(CC(C)c1ccccc1)C(=O)/C=C/c1cccc(/C=C/C(=O)NO)c1
InChIInChI=1S/C24H28N2O3/c1-3-16-26(18-19(2)22-10-5-4-6-11-22)24(28)15-13-21-9-7-8-20(17-21)12-14-23(27)25-29/h4-15,17,19,29H,3,16,18H2,1-2H3,(H,25,27)/b14-12+,15-13+
InChIKeyJANYYYWEJPXEGB-QUMQEAAQSA-N
XLogP4.26
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.26
H-Bond Donors ≤ 52
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

2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012488
ethyl 2-[[(E)-3-phenylprop-2-enoyl]-propylamino]acetate
CID 61008015
(E)-N,N-bis(2-methylpropyl)-3-phenylprop-2-enamide
CID 732127
(E)-3-(3-aminophenyl)-N-(2-hydroxyethyl)-N-propylprop-2-enamide
CID 115343268
3-phenyl-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 7074355
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methylpropyl)prop-2-enamide
CID 115342801
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-phenylpropyl)prop-2-enamide
CID 43010791
(E)-3-(3-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)prop-2-enamide
CID 115343398
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
2-[2-(dimethylamino)ethyl-[(E)-3-phenylprop-2-enoyl]amino]acetic acid
CID 103802756

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide (CID 89330262) is (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide is CCCN(CC(C)c1ccccc1)C(=O)/C=C/c1cccc(/C=C/C(=O)NO)c1.
What is the InChIKey of (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide?
The InChIKey is JANYYYWEJPXEGB-QUMQEAAQSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-3-16-26(18-19(2)22-10-5-4-6-11-22)24(28)15-13-21-9-7-8-20(17-21)12-14-23(27)25-29/h4-15,17,19,29H,3,16,18H2,1-2H3,(H,25,27)/b14-12+,15-13+.
What are the key properties of (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide?
(E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide has a molecular weight of 392.50 g/mol, XLogP of 4.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[3-[(E)-3-oxo-3-[2-phenylpropyl(propyl)amino]prop-1-enyl]phenyl]prop-2-enamide is sourced from PubChem (CID 89330262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).