prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate

C21H21NO5 — CID 2247969

IUPACprop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate
SMILESC=CCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1OC
InChIInChI=1S/C21H21NO5/c1-4-13-27-21(24)18(14-15-9-11-16(25-2)12-10-15)22-20(23)17-7-5-6-8-19(17)26-3/h4-12,14H,1,13H2,2-3H3,(H,22,23)/b18-14-
InChIKeyYQSVHOAJFLYIRX-JXAWBTAJSA-N
MW367.40 g/mol
LogP3.20
Rot. Bonds8

About prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate

prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 2247969) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID2247969
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Nameprop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate
SMILESC=CCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1OC
InChIInChI=1S/C21H21NO5/c1-4-13-27-21(24)18(14-15-9-11-16(25-2)12-10-15)22-20(23)17-7-5-6-8-19(17)26-3/h4-12,14H,1,13H2,2-3H3,(H,22,23)/b18-14-
InChIKeyYQSVHOAJFLYIRX-JXAWBTAJSA-N
XLogP3.20
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-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

prop-2-enyl 2-[(5-bromofuran-2-carbonyl)amino]-3-(4-methoxyphenyl)prop-2-enoate
CID 5102110
methyl (Z)-3-(4-methoxyphenyl)-2-(naphthalene-1-carbonylamino)prop-2-enoate
CID 2178690
prop-2-enyl 2-benzamido-3-(4-hydroxyphenyl)prop-2-enoate
CID 2836676
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
CID 2896836
N-[3-amino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-2-methylbenzamide
CID 889716
2-[(2-chlorobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 2878599
(E)-2-[(2-iodobenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoic acid
CID 26772050
2-methoxy-N-[(E)-3-(4-methoxyanilino)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5341778
2-[[(E)-3-(4-bromophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]acetate
CID 2270494
N-(4-ethenylbenzoyl)-2-methoxybenzamide
CID 139609261
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
prop-2-enyl (Z)-3-(1,3-benzodioxol-5-yl)-2-[(2-bromobenzoyl)amino]prop-2-enoate
CID 2244138

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate (CID 2247969) is prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate is C=CCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1OC.
What is the InChIKey of prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is YQSVHOAJFLYIRX-JXAWBTAJSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-13-27-21(24)18(14-15-9-11-16(25-2)12-10-15)22-20(23)17-7-5-6-8-19(17)26-3/h4-12,14H,1,13H2,2-3H3,(H,22,23)/b18-14-.
What are the key properties of prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate?
prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 367.40 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (Z)-2-[(2-methoxybenzoyl)amino]-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 2247969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).