(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide

C21H23N3O3 — CID 46496007

IUPAC(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-15-8-10-17(11-9-15)16(2)23-24-21(26)14-22-20(25)13-12-18-6-4-5-7-19(18)27-3/h4-13H,14H2,1-3H3,(H,22,25)(H,24,26)/b13-12+,23-16+
InChIKeyICMJZLLSQGORBD-YLYYBIBKSA-N
MW365.43 g/mol
LogP2.67
Rot. Bonds7

About (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide (PubChem CID 46496007) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
PubChem CID46496007
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(\C)c1ccc(C)cc1
InChIInChI=1S/C21H23N3O3/c1-15-8-10-17(11-9-15)16(2)23-24-21(26)14-22-20(25)13-12-18-6-4-5-7-19(18)27-3/h4-13H,14H2,1-3H3,(H,22,25)(H,24,26)/b13-12+,23-16+
InChIKeyICMJZLLSQGORBD-YLYYBIBKSA-N
XLogP2.67
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.67
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

(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 24792853
N-[2-(2-benzylidenehydrazinyl)-2-oxoethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 3977459
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
2-[3-(2-methoxyphenyl)prop-2-enoylamino]acetyl chloride
CID 57046657
(E)-N-[2-[(2E)-2-[1-(4-chlorophenyl)ethylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 7373376
2-methoxy-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 6152790
(E)-3-(2-methoxyphenyl)-N-[2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 136911340
N-benzyl-3-(2-methoxyphenyl)prop-2-enamide
CID 2927846
N-[(Z)-1-(4-chlorophenyl)ethylideneamino]-2-(2-methoxyanilino)acetamide
CID 5427879
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide (CID 46496007) is (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C(\C)c1ccc(C)cc1.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
The InChIKey is ICMJZLLSQGORBD-YLYYBIBKSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-8-10-17(11-9-15)16(2)23-24-21(26)14-22-20(25)13-12-18-6-4-5-7-19(18)27-3/h4-13H,14H2,1-3H3,(H,22,25)(H,24,26)/b13-12+,23-16+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide has a molecular weight of 365.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 46496007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).