3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate

C24H19N2O5- — CID 7376056

IUPAC3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
SMILESCOc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C24H20N2O5/c1-31-20-12-10-17(11-13-20)22(27)26-21(14-16-6-3-2-4-7-16)23(28)25-19-9-5-8-18(15-19)24(29)30/h2-15H,1H3,(H,25,28)(H,26,27)(H,29,30)/p-1/b21-14-
InChIKeyBLORUYUWRJDNNF-STZFKDTASA-M
MW415.43 g/mol
LogP2.47
Rot. Bonds7

About 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate

3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate (PubChem CID 7376056) has the molecular formula C24H19N2O5- and a molecular weight of 415.43 g/mol. Its IUPAC name is 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate.

Molecular Properties

Compound Name3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
PubChem CID7376056
Molecular FormulaC24H19N2O5-
Molecular Weight415.43 g/mol
Exact Mass415.13
IUPAC Name3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
SMILESCOc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1
InChIInChI=1S/C24H20N2O5/c1-31-20-12-10-17(11-13-20)22(27)26-21(14-16-6-3-2-4-7-16)23(28)25-19-9-5-8-18(15-19)24(29)30/h2-15H,1H3,(H,25,28)(H,26,27)(H,29,30)/p-1/b21-14-
InChIKeyBLORUYUWRJDNNF-STZFKDTASA-M
XLogP2.47
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1367341
3-[[(Z)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 2269702
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
3-[[(E)-2-[(2-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate
CID 2270198
N-[(Z)-3-(3-bromoanilino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 99902539
N-[1-(4-methoxyphenyl)-3-(3-methylanilino)-3-oxoprop-1-en-2-yl]-3-methylbenzamide
CID 3797920
methyl 2-[3-[[(E)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]phenyl]sulfanylacetate
CID 19300494
N-[1-(4-hydroxyphenyl)-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]benzamide
CID 3972655
3-[[(E)-3-(4-fluorophenyl)-2-[(2-methoxybenzoyl)amino]prop-2-enoyl]amino]benzoate
CID 2269758
3-[[(E)-3-(4-acetyloxyphenyl)-2-benzamidoprop-2-enoyl]amino]benzoic acid
CID 1352318
N-[(E)-3-[3-(2-amino-2-oxoethyl)sulfanylanilino]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19300493
1-N,4-N-bis[(E)-3-anilino-3-oxo-1-phenylprop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665285

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate?
The IUPAC name of 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate (CID 7376056) is 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate.
What is the SMILES notation for 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate?
The canonical SMILES for 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate is COc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2cccc(C(=O)[O-])c2)cc1.
What is the InChIKey of 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate?
The InChIKey is BLORUYUWRJDNNF-STZFKDTASA-M. The full InChI is InChI=1S/C24H20N2O5/c1-31-20-12-10-17(11-13-20)22(27)26-21(14-16-6-3-2-4-7-16)23(28)25-19-9-5-8-18(15-19)24(29)30/h2-15H,1H3,(H,25,28)(H,26,27)(H,29,30)/p-1/b21-14-.
What are the key properties of 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate?
3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate has a molecular weight of 415.43 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoate is sourced from PubChem (CID 7376056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).