4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide

C24H22N2O3 — CID 22831284

IUPAC4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-18-7-12-21(13-8-18)24(28)26-25-23(27)16-11-19-9-14-22(15-10-19)29-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,25,27)(H,26,28)/b16-11+
InChIKeyNPLQESDNQXWQDY-LFIBNONCSA-N
MW386.45 g/mol
LogP4.05
Rot. Bonds6

About 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide

4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide (PubChem CID 22831284) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
PubChem CID22831284
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
SMILESCc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-18-7-12-21(13-8-18)24(28)26-25-23(27)16-11-19-9-14-22(15-10-19)29-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,25,27)(H,26,28)/b16-11+
InChIKeyNPLQESDNQXWQDY-LFIBNONCSA-N
XLogP4.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-phenylmethoxy-N'-[(E)-3-phenylprop-2-enoyl]benzohydrazide
CID 6234109
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-4-oxo-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]but-2-enoic acid
CID 6234104
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
3-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]prop-2-enamide
CID 4947645
N'-(3-naphthalen-1-ylprop-2-enoyl)-4-phenylmethoxybenzohydrazide
CID 4933147
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926
N'-[3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-4-methylbenzohydrazide
CID 4813315
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319
(E)-N-(2-amino-4-methylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 28867674
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 7973152
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide (CID 22831284) is 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide is Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide?
The InChIKey is NPLQESDNQXWQDY-LFIBNONCSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-18-7-12-21(13-8-18)24(28)26-25-23(27)16-11-19-9-14-22(15-10-19)29-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3,(H,25,27)(H,26,28)/b16-11+.
What are the key properties of 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide?
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide has a molecular weight of 386.45 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide is sourced from PubChem (CID 22831284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).