4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide

C18H18N2O2 — CID 576888

IUPAC4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESCc1ccc(C(=O)C=CNNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-7-15(8-4-13)17(21)11-12-19-20-18(22)16-9-5-14(2)6-10-16/h3-12,19H,1-2H3,(H,20,22)
InChIKeyCATWCQINOGEQFZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.93
Rot. Bonds5

About 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide

4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide (PubChem CID 576888) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
PubChem CID576888
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
SMILESCc1ccc(C(=O)C=CNNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O2/c1-13-3-7-15(8-4-13)17(21)11-12-19-20-18(22)16-9-5-14(2)6-10-16/h3-12,19H,1-2H3,(H,20,22)
InChIKeyCATWCQINOGEQFZ-UHFFFAOYSA-N
XLogP2.93
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.93
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-methyl-N'-[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 5370777
4-hydroxy-N'-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 6298341
(E)-3-(4-methylanilino)-1-(4-methylphenyl)prop-2-en-1-one
CID 2267437
(E)-1-(4-tert-butylphenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 139030212
methyl 2-[[(Z)-3-(4-methylphenyl)-3-oxoprop-1-enyl]amino]acetate
CID 18531919
(E)-1-(4-chlorophenyl)-3-(4-methylanilino)prop-2-en-1-one
CID 2290968
4-chloro-N'-[(E)-3-(3-methoxyphenyl)-3-oxoprop-1-enyl]benzohydrazide
CID 6033190
(E)-1-(4-methylphenyl)-3-[(E)-3-(4-methylphenyl)-3-oxoprop-1-enyl]sulfanylprop-2-en-1-one
CID 5370790
3-(4-methylanilino)-1-(4-phenylphenyl)prop-2-en-1-one
CID 2917270
N'-(4-methylbenzoyl)pyridine-4-carbohydrazide
CID 788109
1-methyl-3-[(4-methylbenzoyl)amino]urea
CID 3271870
(Z)-1-(4-methylphenyl)pent-2-en-1-one
CID 11672749

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The IUPAC name of 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide (CID 576888) is 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide.
What is the SMILES notation for 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The canonical SMILES for 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide is Cc1ccc(C(=O)C=CNNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
The InChIKey is CATWCQINOGEQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-13-3-7-15(8-4-13)17(21)11-12-19-20-18(22)16-9-5-14(2)6-10-16/h3-12,19H,1-2H3,(H,20,22).
What are the key properties of 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide?
4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide has a molecular weight of 294.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-[3-(4-methylphenyl)-3-oxoprop-1-enyl]benzohydrazide is sourced from PubChem (CID 576888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).