(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide

C18H16N2O3 — CID 157186787

IUPAC(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C(=O)C/N=C/c2ccccc2)cc1)NO
InChIInChI=1S/C18H16N2O3/c21-17(13-19-12-15-4-2-1-3-5-15)16-9-6-14(7-10-16)8-11-18(22)20-23/h1-12,23H,13H2,(H,20,22)/b11-8+,19-12+
InChIKeySHGPFMLRWPDVNN-GGNBMFIYSA-N
MW308.34 g/mol
LogP2.51
Rot. Bonds6

About (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 157186787) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID157186787
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
SMILESO=C(/C=C/c1ccc(C(=O)C/N=C/c2ccccc2)cc1)NO
InChIInChI=1S/C18H16N2O3/c21-17(13-19-12-15-4-2-1-3-5-15)16-9-6-14(7-10-16)8-11-18(22)20-23/h1-12,23H,13H2,(H,20,22)/b11-8+,19-12+
InChIKeySHGPFMLRWPDVNN-GGNBMFIYSA-N
XLogP2.51
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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)-N-hydroxy-3-[4-[2-(2-phenylmethoxyethylideneamino)acetyl]phenyl]prop-2-enamide
CID 157186793
(E)-3-[4-[2-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 158513678
N-hydroxy-3-(4-propanoylphenyl)prop-2-enamide
CID 141299879
4-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[(4-phenylphenyl)methylideneamino]benzamide
CID 123393502
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 123812830
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
(E)-N-hydroxy-3-(4-phenoxyphenyl)prop-2-enamide
CID 155562725
2-[(E)-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]benzoyl]hydrazinylidene]methyl]benzoic acid
CID 88862031
3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-N-phenylbenzamide
CID 23557298
4-O-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methylideneamino] 1-O-methyl benzene-1,4-dicarboxylate
CID 140526727
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide (CID 157186787) is (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide is O=C(/C=C/c1ccc(C(=O)C/N=C/c2ccccc2)cc1)NO.
What is the InChIKey of (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is SHGPFMLRWPDVNN-GGNBMFIYSA-N. The full InChI is InChI=1S/C18H16N2O3/c21-17(13-19-12-15-4-2-1-3-5-15)16-9-6-14(7-10-16)8-11-18(22)20-23/h1-12,23H,13H2,(H,20,22)/b11-8+,19-12+.
What are the key properties of (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 157186787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).