[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate

C21H22N2O5 — CID 8673223

IUPAC[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate
SMILESCC/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N2O5/c1-3-4-5-20(25)28-14-19(24)22-16-8-6-15(7-9-16)21(26)23-17-10-12-18(27-2)13-11-17/h4-13H,3,14H2,1-2H3,(H,22,24)(H,23,26)/b5-4+
InChIKeyQGCDTJPCBKRGRX-SNAWJCMRSA-N
MW382.42 g/mol
LogP3.40
Rot. Bonds8

About [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate

[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate (PubChem CID 8673223) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate.

Molecular Properties

Compound Name[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate
PubChem CID8673223
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate
SMILESCC/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C21H22N2O5/c1-3-4-5-20(25)28-14-19(24)22-16-8-6-15(7-9-16)21(26)23-17-10-12-18(27-2)13-11-17/h4-13H,3,14H2,1-2H3,(H,22,24)(H,23,26)/b5-4+
InChIKeyQGCDTJPCBKRGRX-SNAWJCMRSA-N
XLogP3.40
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate 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-(4-carbamoylanilino)-2-oxoethyl] (E)-pent-2-enoate
CID 8673185
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 35975008
[2-[4-(cyanomethyl)anilino]-2-oxoethyl] (E)-pent-2-enoate
CID 8782427
4-[[2-(3,4-dichlorophenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2092735
[2-(4-methoxyanilino)-2-oxoethyl] propanoate
CID 7851370
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
1-O-ethyl 4-O-[2-(4-methoxycarbonylanilino)-2-oxoethyl] (E)-but-2-enedioate
CID 7851825
4-hydrazinyl-N-(4-methoxyphenyl)benzamide
CID 62237684
N-(4-methoxyphenyl)-4-[(2-methylsulfanylacetyl)amino]benzamide
CID 8884327
N-(4-methoxyphenyl)-4-(3-methylbutanoylamino)benzamide
CID 2994922

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate?
The IUPAC name of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate (CID 8673223) is [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate.
What is the SMILES notation for [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate?
The canonical SMILES for [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate is CC/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate?
The InChIKey is QGCDTJPCBKRGRX-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-3-4-5-20(25)28-14-19(24)22-16-8-6-15(7-9-16)21(26)23-17-10-12-18(27-2)13-11-17/h4-13H,3,14H2,1-2H3,(H,22,24)(H,23,26)/b5-4+.
What are the key properties of [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate?
[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate has a molecular weight of 382.42 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] (E)-pent-2-enoate is sourced from PubChem (CID 8673223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).