(E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

C20H22N4O4 — CID 55350882

IUPAC(E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(NCC(=O)NNC(=O)CNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N4O4/c1-28-17-10-8-16(9-11-17)21-13-19(26)23-24-20(27)14-22-18(25)12-7-15-5-3-2-4-6-15/h2-12,21H,13-14H2,1H3,(H,22,25)(H,23,26)(H,24,27)/b12-7+
InChIKeyFSJUVJHWNRXUEW-KPKJPENVSA-N
MW382.42 g/mol
LogP1.08
Rot. Bonds8

About (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 55350882) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID55350882
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Name(E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESCOc1ccc(NCC(=O)NNC(=O)CNC(=O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N4O4/c1-28-17-10-8-16(9-11-17)21-13-19(26)23-24-20(27)14-22-18(25)12-7-15-5-3-2-4-6-15/h2-12,21H,13-14H2,1H3,(H,22,25)(H,23,26)(H,24,27)/b12-7+
InChIKeyFSJUVJHWNRXUEW-KPKJPENVSA-N
XLogP1.08
TPSA108.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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

2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
N'-[2-(4-methoxyanilino)acetyl]-4-phenoxybutanehydrazide
CID 55350766
methyl 2-(3-phenylprop-2-enoylamino)acetate
CID 582979
(E)-N-[2-(4-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9411615
methyl N-[4-[[[2-[[(E)-3-phenylprop-2-enoyl]amino]acetyl]amino]methyl]phenyl]carbamate
CID 55845795
sodium 2-[[2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetyl]amino]acetate
CID 142735425
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-N-[2-oxo-2-[2-[(4-propan-2-ylphenyl)carbamothioyl]hydrazinyl]ethyl]-3-phenylprop-2-enamide
CID 9157643
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(2-phenylethyl)thiourea
CID 8617393
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 55350882) is (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is COc1ccc(NCC(=O)NNC(=O)CNC(=O)/C=C/c2ccccc2)cc1.
What is the InChIKey of (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is FSJUVJHWNRXUEW-KPKJPENVSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-28-17-10-8-16(9-11-17)21-13-19(26)23-24-20(27)14-22-18(25)12-7-15-5-3-2-4-6-15/h2-12,21H,13-14H2,1H3,(H,22,25)(H,23,26)(H,24,27)/b12-7+.
What are the key properties of (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 382.42 g/mol, XLogP of 1.08, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-[2-(4-methoxyanilino)acetyl]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 55350882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).