propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate

C20H20N2O6 — CID 6150504

IUPACpropan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate
SMILESCOc1ccccc1C(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C
InChIInChI=1S/C20H20N2O6/c1-13(2)28-20(24)17(12-14-7-6-8-15(11-14)22(25)26)21-19(23)16-9-4-5-10-18(16)27-3/h4-13H,1-3H3,(H,21,23)/b17-12+
InChIKeyFOGWRJAQCOLKOE-SFQUDFHCSA-N
MW384.39 g/mol
LogP3.33
Rot. Bonds7

About propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate

propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate (PubChem CID 6150504) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate.

Molecular Properties

Compound Namepropan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate
PubChem CID6150504
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namepropan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate
SMILESCOc1ccccc1C(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C
InChIInChI=1S/C20H20N2O6/c1-13(2)28-20(24)17(12-14-7-6-8-15(11-14)22(25)26)21-19(23)16-9-4-5-10-18(16)27-3/h4-13H,1-3H3,(H,21,23)/b17-12+
InChIKeyFOGWRJAQCOLKOE-SFQUDFHCSA-N
XLogP3.33
TPSA107.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)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

N-[3-(ethylamino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3754014
2-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]benzamide
CID 6861689
5-chloro-2-methoxy-N-[(Z)-3-(3-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 46497337
(E)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoic acid
CID 6153397
5-chloro-2-methoxy-N-[(Z)-3-(2-methoxy-4-nitroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 46497332
(E)-2-(2-methoxybenzoyl)-3-(3-nitrophenyl)prop-2-enenitrile
CID 9336234
methyl (E)-2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 5415762
methyl 2-(furan-2-carbonylamino)-3-(3-nitrophenyl)prop-2-enoate
CID 887235
2-[[2-[(2-bromobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]propanoic acid
CID 2908310
methyl 4-[[(Z)-2-[(5-bromo-2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]benzoate
CID 46497401
5-chloro-N-[(Z)-3-(3-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 46497339
5-chloro-N-[(E)-3-(3-fluoroanilino)-1-(3-nitrophenyl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 98442447

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate?
The IUPAC name of propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate (CID 6150504) is propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate.
What is the SMILES notation for propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate?
The canonical SMILES for propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate is COc1ccccc1C(=O)N/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate?
The InChIKey is FOGWRJAQCOLKOE-SFQUDFHCSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-13(2)28-20(24)17(12-14-7-6-8-15(11-14)22(25)26)21-19(23)16-9-4-5-10-18(16)27-3/h4-13H,1-3H3,(H,21,23)/b17-12+.
What are the key properties of propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate?
propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate has a molecular weight of 384.39 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (E)-2-[(2-methoxybenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoate is sourced from PubChem (CID 6150504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).