2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate

C20H17N2O7- — CID 7365867

IUPAC2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate
SMILESCOc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCC(=O)[O-]
InChIInChI=1S/C20H18N2O7/c1-27-15-5-3-2-4-13(15)19(25)22-14(20(26)21-10-18(23)24)8-12-6-7-16-17(9-12)29-11-28-16/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)(H,23,24)/p-1/b14-8-
InChIKeyZKXQPLKOPRPJKN-ZSOIEALJSA-M
MW397.36 g/mol
LogP0.06
Rot. Bonds7

About 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate

2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate (PubChem CID 7365867) has the molecular formula C20H17N2O7- and a molecular weight of 397.36 g/mol. Its IUPAC name is 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate
PubChem CID7365867
Molecular FormulaC20H17N2O7-
Molecular Weight397.36 g/mol
Exact Mass397.10
IUPAC Name2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate
SMILESCOc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCC(=O)[O-]
InChIInChI=1S/C20H18N2O7/c1-27-15-5-3-2-4-13(15)19(25)22-14(20(26)21-10-18(23)24)8-12-6-7-16-17(9-12)29-11-28-16/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)(H,23,24)/p-1/b14-8-
InChIKeyZKXQPLKOPRPJKN-ZSOIEALJSA-M
XLogP0.06
TPSA126.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate 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-[[(E)-3-(4-bromophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate
CID 2270494
2-[[(E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]prop-2-enoyl]amino]acetate
CID 2269691
3-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-chlorobenzoyl)amino]prop-2-enoyl]amino]propanoate
CID 7258827
2-[[2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]acetic acid
CID 2853606
(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoate
CID 2187683
N-[(E)-1-(1,3-benzodioxol-5-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 20831612
N-[3-(ethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3754014
N-[(Z)-3-[6-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]hexylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 22304466
(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-iodobenzoyl)amino]prop-2-enoic acid
CID 2187684
N-[1-(1,3-benzodioxol-5-yl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 1001960
(Z)-3-(1,3-benzodioxol-5-yl)-2-(2-methoxyphenyl)prop-2-enenitrile
CID 6015742
N-[1-(1,3-benzodioxol-5-yl)-3-[2-[(2-methoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
CID 2867392

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate?
The IUPAC name of 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate (CID 7365867) is 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate.
What is the SMILES notation for 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate?
The canonical SMILES for 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate is COc1ccccc1C(=O)N/C(=C\c1ccc2c(c1)OCO2)C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate?
The InChIKey is ZKXQPLKOPRPJKN-ZSOIEALJSA-M. The full InChI is InChI=1S/C20H18N2O7/c1-27-15-5-3-2-4-13(15)19(25)22-14(20(26)21-10-18(23)24)8-12-6-7-16-17(9-12)29-11-28-16/h2-9H,10-11H2,1H3,(H,21,26)(H,22,25)(H,23,24)/p-1/b14-8-.
What are the key properties of 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate?
2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate has a molecular weight of 397.36 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate is sourced from PubChem (CID 7365867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).