N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide

C19H19N3O3 — CID 3977459

IUPACN-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-16(17)11-12-18(23)20-14-19(24)22-21-13-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,20,23)(H,22,24)
InChIKeyDXUUSDYANGHSQE-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.97
Rot. Bonds7

About N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide

N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide (PubChem CID 3977459) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
PubChem CID3977459
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
SMILESCOc1ccccc1C=CC(=O)NCC(=O)NN=Cc1ccccc1
InChIInChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-16(17)11-12-18(23)20-14-19(24)22-21-13-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,20,23)(H,22,24)
InChIKeyDXUUSDYANGHSQE-UHFFFAOYSA-N
XLogP1.97
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

4-[(Z)-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]hydrazinylidene]methyl]benzoate
CID 6029436
2-[[2-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]acetyl]amino]acetic acid
CID 43387522
(E)-3-(2-methoxyphenyl)-N-[2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 136911340
(Z)-N-[2-[(2Z)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 136714331
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 46496007
(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 24792853
4-[[[2-(3-phenylprop-2-enoylamino)acetyl]hydrazinylidene]methyl]benzoate
CID 4178971
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
4-[(E)-[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 6895010
4-[[[2-[(2-methoxybenzoyl)amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 2195688
N-heptyl-3-(2-methoxyphenyl)prop-2-enamide
CID 3506378

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide (CID 3977459) is N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide is COc1ccccc1C=CC(=O)NCC(=O)NN=Cc1ccccc1.
What is the InChIKey of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is DXUUSDYANGHSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-25-17-10-6-5-9-16(17)11-12-18(23)20-14-19(24)22-21-13-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide?
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 3977459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).