N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide

C20H22N2O3 — CID 6233838

IUPACN'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-3-14-25-18-7-5-4-6-17(18)20(24)22-21-19(23)13-12-16-10-8-15(2)9-11-16/h4-13H,3,14H2,1-2H3,(H,21,23)(H,22,24)/b13-12+
InChIKeyOSROOFIRQZOFIA-OUKQBFOZSA-N
MW338.41 g/mol
LogP3.26
Rot. Bonds6

About N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide

N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide (PubChem CID 6233838) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide
PubChem CID6233838
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-3-14-25-18-7-5-4-6-17(18)20(24)22-21-19(23)13-12-16-10-8-15(2)9-11-16/h4-13H,3,14H2,1-2H3,(H,21,23)(H,22,24)/b13-12+
InChIKeyOSROOFIRQZOFIA-OUKQBFOZSA-N
XLogP3.26
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.26
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'}

Analyze N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
N'-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 6233291
N'-[3-(4-methoxyphenyl)prop-2-enoyl]-2-prop-2-enoxybenzohydrazide
CID 4929146
N'-[2-(3-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931604
(E)-3-(2-chlorophenyl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 6233848
3-(furan-2-yl)-N-[[(2-propoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 4931796
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-fluorobenzohydrazide
CID 9402292
N'-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-2-iodobenzohydrazide
CID 17227221
3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
CID 4931652
(E)-3-(4-ethoxyphenyl)-N-[[(2-methoxybenzoyl)amino]carbamothioyl]prop-2-enamide
CID 17227688
N'-[(E)-3-(4-butoxy-3-methoxyphenyl)prop-2-enoyl]-4-methylbenzohydrazide
CID 9475903

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide?
The IUPAC name of N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide (CID 6233838) is N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide.
What is the SMILES notation for N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide?
The canonical SMILES for N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide is CCCOc1ccccc1C(=O)NNC(=O)/C=C/c1ccc(C)cc1.
What is the InChIKey of N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide?
The InChIKey is OSROOFIRQZOFIA-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-3-14-25-18-7-5-4-6-17(18)20(24)22-21-19(23)13-12-16-10-8-15(2)9-11-16/h4-13H,3,14H2,1-2H3,(H,21,23)(H,22,24)/b13-12+.
What are the key properties of N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide?
N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide has a molecular weight of 338.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-3-(4-methylphenyl)prop-2-enoyl]-2-propoxybenzohydrazide is sourced from PubChem (CID 6233838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).