methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate

C17H16N2O4 — CID 14443750

IUPACmethyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate
SMILESCOC(=O)/C(=C/Nc1ccccc1O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-23-17(22)14(11-18-13-9-5-6-10-15(13)20)19-16(21)12-7-3-2-4-8-12/h2-11,18,20H,1H3,(H,19,21)/b14-11-
InChIKeyINDSEZZLQULOTM-KAMYIIQDSA-N
MW312.33 g/mol
LogP2.25
Rot. Bonds5

About methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate

methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate (PubChem CID 14443750) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate
PubChem CID14443750
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate
SMILESCOC(=O)/C(=C/Nc1ccccc1O)NC(=O)c1ccccc1
InChIInChI=1S/C17H16N2O4/c1-23-17(22)14(11-18-13-9-5-6-10-15(13)20)19-16(21)12-7-3-2-4-8-12/h2-11,18,20H,1H3,(H,19,21)/b14-11-
InChIKeyINDSEZZLQULOTM-KAMYIIQDSA-N
XLogP2.25
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 1486062
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CID 10093206
methyl 2-benzamido-4-methylpent-2-enoate
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methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
CID 66987424
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N-[(E)-2-cyano-3-(2-hydroxyanilino)prop-2-enoyl]benzamide
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methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
4-fluoroaniline;methyl (E)-2-benzamido-3-(dimethylamino)prop-2-enoate;methyl (E)-2-benzamido-3-(4-fluoroanilino)prop-2-enoate
CID 158850152
dimethyl (6Z)-2,7-dibenzamidoocta-2,4,6-trienedioate;2,2-dimethylpropane;methyl (2Z)-2-benzamido-5-methylhexa-2,4-dienoate
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dimethyl (2Z,4Z)-2-benzamido-5-phenacylhexa-2,4-dienedioate
CID 59187976
methyl (E)-2-benzamido-3-[[6-(4-chlorophenyl)sulfanyl-3-pyridinyl]amino]prop-2-enoate
CID 2801441
methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate
CID 56971299

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate?
The IUPAC name of methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate (CID 14443750) is methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate is COC(=O)/C(=C/Nc1ccccc1O)NC(=O)c1ccccc1.
What is the InChIKey of methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate?
The InChIKey is INDSEZZLQULOTM-KAMYIIQDSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-23-17(22)14(11-18-13-9-5-6-10-15(13)20)19-16(21)12-7-3-2-4-8-12/h2-11,18,20H,1H3,(H,19,21)/b14-11-.
What are the key properties of methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate?
methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate has a molecular weight of 312.33 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate is sourced from PubChem (CID 14443750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).