4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide

C28H27N3O5 — CID 59575493

IUPAC4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
SMILESCOc1ccc(/C(=C\c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)C(=O)NC2CC2)cc1
InChIInChI=1S/C28H27N3O5/c1-36-24-14-10-20(11-15-24)25(28(34)30-23-12-13-23)16-18-2-6-21(7-3-18)26(32)29-17-19-4-8-22(9-5-19)27(33)31-35/h2-11,14-16,23,35H,12-13,17H2,1H3,(H,29,32)(H,30,34)(H,31,33)/b25-16+
InChIKeyGBEDSMXGIYVNTG-PCLIKHOPSA-N
MW485.54 g/mol
LogP3.56
Rot. Bonds9

About 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide

4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide (PubChem CID 59575493) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
PubChem CID59575493
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Name4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
SMILESCOc1ccc(/C(=C\c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)C(=O)NC2CC2)cc1
InChIInChI=1S/C28H27N3O5/c1-36-24-14-10-20(11-15-24)25(28(34)30-23-12-13-23)16-18-2-6-21(7-3-18)26(32)29-17-19-4-8-22(9-5-19)27(33)31-35/h2-11,14-16,23,35H,12-13,17H2,1H3,(H,29,32)(H,30,34)(H,31,33)/b25-16+
InChIKeyGBEDSMXGIYVNTG-PCLIKHOPSA-N
XLogP3.56
TPSA116.76 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide with MolForge

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Related Compounds

4-[[[4-[(Z)-3-(cyclopropylamino)-2-(3,4-difluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
CID 87568790
4-[[[4-[(E)-3-(cyclopropylamino)-2-(3-fluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide
CID 59575500
N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 87568008
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 25266613
4-[3-(cyclopropylamino)-3-oxo-2-[4-(trifluoromethyl)phenyl]prop-1-enyl]-N-[(4-formylphenyl)methyl]benzamide
CID 123482395
methyl 4-[[3-[4-[(E)-3-(cyclopropylamino)-2-(4-fluorophenyl)-3-oxoprop-1-enyl]phenyl]prop-2-enoylamino]methyl]benzoate
CID 68767568
N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2930228
4-[[[(E)-3-(4-fluorophenyl)-2-phenylprop-2-enoyl]amino]methyl]-N-hydroxybenzamide
CID 25265745
(E)-N-cyclopropyl-3-[4-(cyclopropylmethoxy)phenyl]-2-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]prop-2-enamide
CID 25268739
6-N-cyclopropyl-2-N-[(4-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109093839
4-[[(3R)-1,1-dioxothiolan-3-yl]carbamoylamino]-N-[(4-methoxyphenyl)methyl]benzamide
CID 39342660
methyl N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]carbamate
CID 110465113

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide (CID 59575493) is 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide is COc1ccc(/C(=C\c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2)C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
The InChIKey is GBEDSMXGIYVNTG-PCLIKHOPSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-36-24-14-10-20(11-15-24)25(28(34)30-23-12-13-23)16-18-2-6-21(7-3-18)26(32)29-17-19-4-8-22(9-5-19)27(33)31-35/h2-11,14-16,23,35H,12-13,17H2,1H3,(H,29,32)(H,30,34)(H,31,33)/b25-16+.
What are the key properties of 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide?
4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide has a molecular weight of 485.54 g/mol, XLogP of 3.56, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[(E)-3-(cyclopropylamino)-2-(4-methoxyphenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 59575493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).