N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide

C18H16N2O4 — CID 176530248

IUPACN'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(=C=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H16N2O4/c1-24-16-9-7-14(8-10-16)17(22)19-20-18(23)15(12-21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyAVPSMQKEZWTBTD-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.46
Rot. Bonds5

About N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide

N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide (PubChem CID 176530248) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide
PubChem CID176530248
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC NameN'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)C(=C=O)Cc2ccccc2)cc1
InChIInChI=1S/C18H16N2O4/c1-24-16-9-7-14(8-10-16)17(22)19-20-18(23)15(12-21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,22)(H,20,23)
InChIKeyAVPSMQKEZWTBTD-UHFFFAOYSA-N
XLogP1.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', '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)-4-phenylmethoxybut-2-enyl] N-[(4-methoxybenzoyl)amino]carbamate
CID 45109533
N-[4-[[(4-methoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 1246678
4-tert-butyl-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 795496
N'-[2-(4-methoxyphenoxy)acetyl]-4-(2-phenylethoxy)benzohydrazide
CID 4956591
N'-[5-amino-6-[2-(2-phenylacetyl)hydrazinyl]pyrimidin-4-yl]-4-methoxybenzohydrazide
CID 19151751
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699
4-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 26163580
2-[2-(4-methoxybenzoyl)hydrazinyl]-N-naphthalen-1-yl-2-oxoacetamide
CID 3117709
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
N-(2-hydroxyethyl)-2-[2-(4-methoxybenzoyl)hydrazinyl]-2-oxoacetamide
CID 3117716

Frequently Asked Questions

What is the IUPAC name of N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide?
The IUPAC name of N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide (CID 176530248) is N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide.
What is the SMILES notation for N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide?
The canonical SMILES for N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)C(=C=O)Cc2ccccc2)cc1.
What is the InChIKey of N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide?
The InChIKey is AVPSMQKEZWTBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-24-16-9-7-14(8-10-16)17(22)19-20-18(23)15(12-21)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide?
N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide has a molecular weight of 324.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-benzyl-3-oxoprop-2-enoyl)-4-methoxybenzohydrazide is sourced from PubChem (CID 176530248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).