N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

C27H25N3O3 — CID 135752209

IUPACN-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESCC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C27H25N3O3/c1-19(17-21-11-5-3-6-12-21)18-24(28-26(32)22-13-7-4-8-14-22)27(33)30-29-20(2)23-15-9-10-16-25(23)31/h3-18,31H,1-2H3,(H,28,32)(H,30,33)/b19-17?,24-18?,29-20+
InChIKeyIAVPMFYZZSHZEZ-OSFFRSMZSA-N
MW439.52 g/mol
LogP4.65
Rot. Bonds7

About N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide

N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (PubChem CID 135752209) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
PubChem CID135752209
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC NameN-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
SMILESCC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccccc1O
InChIInChI=1S/C27H25N3O3/c1-19(17-21-11-5-3-6-12-21)18-24(28-26(32)22-13-7-4-8-14-22)27(33)30-29-20(2)23-15-9-10-16-25(23)31/h3-18,31H,1-2H3,(H,28,32)(H,30,33)/b19-17?,24-18?,29-20+
InChIKeyIAVPMFYZZSHZEZ-OSFFRSMZSA-N
XLogP4.65
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(2Z,4E)-1-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 135833946
N-[(E)-3-[2-[1-(3-bromophenyl)ethylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 129440332
N-[(Z)-1-(4-chlorophenyl)-3-[(2E)-2-[1-(4-hydroxyphenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 135459475
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
N-[(Z)-1-(1,3-benzodioxol-5-yl)-3-[(2E)-2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 137093010
N-[1-(4-methoxyphenyl)-3-oxo-3-[2-(4-phenylbut-3-en-2-ylidene)hydrazinyl]prop-1-en-2-yl]benzamide
CID 3360376
N-[3-[2-[1-(2,4-dihydroxy-5-nitrophenyl)ethylidene]hydrazinyl]-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5000840
N-[1-(2-hydroxyphenyl)ethylideneamino]-3-methylbenzamide
CID 715799
4-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
N-[(E)-3-[(2E)-2-[(4-acetamidophenyl)methylidene]hydrazinyl]-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 53305033

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The IUPAC name of N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide (CID 135752209) is N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The canonical SMILES for N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is CC(=Cc1ccccc1)C=C(NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccccc1O.
What is the InChIKey of N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
The InChIKey is IAVPMFYZZSHZEZ-OSFFRSMZSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-19(17-21-11-5-3-6-12-21)18-24(28-26(32)22-13-7-4-8-14-22)27(33)30-29-20(2)23-15-9-10-16-25(23)31/h3-18,31H,1-2H3,(H,28,32)(H,30,33)/b19-17?,24-18?,29-20+.
What are the key properties of N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide?
N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide has a molecular weight of 439.52 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2E)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-4-methyl-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide is sourced from PubChem (CID 135752209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).