methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate

C15H16N2O5 — CID 56971299

IUPACmethyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate
SMILESC=C(NC(=O)c1ccccc1)C(=O)N/C(=C\OC)C(=O)OC
InChIInChI=1S/C15H16N2O5/c1-10(16-14(19)11-7-5-4-6-8-11)13(18)17-12(9-21-2)15(20)22-3/h4-9H,1H2,2-3H3,(H,16,19)(H,17,18)/b12-9-
InChIKeyQOMXOLGUKLWMAL-XFXZXTDPSA-N
MW304.30 g/mol
LogP0.71
Rot. Bonds6

About methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate

methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate (PubChem CID 56971299) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate
PubChem CID56971299
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namemethyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate
SMILESC=C(NC(=O)c1ccccc1)C(=O)N/C(=C\OC)C(=O)OC
InChIInChI=1S/C15H16N2O5/c1-10(16-14(19)11-7-5-4-6-8-11)13(18)17-12(9-21-2)15(20)22-3/h4-9H,1H2,2-3H3,(H,16,19)(H,17,18)/b12-9-
InChIKeyQOMXOLGUKLWMAL-XFXZXTDPSA-N
XLogP0.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate?
The IUPAC name of methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate (CID 56971299) is methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate?
The canonical SMILES for methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate is C=C(NC(=O)c1ccccc1)C(=O)N/C(=C\OC)C(=O)OC.
What is the InChIKey of methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate?
The InChIKey is QOMXOLGUKLWMAL-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-10(16-14(19)11-7-5-4-6-8-11)13(18)17-12(9-21-2)15(20)22-3/h4-9H,1H2,2-3H3,(H,16,19)(H,17,18)/b12-9-.
What are the key properties of methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate?
methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate has a molecular weight of 304.30 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(2-benzamidoprop-2-enoylamino)-3-methoxyprop-2-enoate is sourced from PubChem (CID 56971299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).