methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate

C19H19NO4 — CID 1376034

IUPACmethyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H19NO4/c1-3-24-17-12-8-7-11-15(17)13-16(19(22)23-2)20-18(21)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,21)/b16-13+
InChIKeyLDMHQPMKLQBDAN-DTQAZKPQSA-N
MW325.36 g/mol
LogP3.03
Rot. Bonds6

About methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate

methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate (PubChem CID 1376034) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
PubChem CID1376034
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
SMILESCCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H19NO4/c1-3-24-17-12-8-7-11-15(17)13-16(19(22)23-2)20-18(21)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,21)/b16-13+
InChIKeyLDMHQPMKLQBDAN-DTQAZKPQSA-N
XLogP3.03
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 2836669
ethyl 2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 4038214
propyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate
CID 6073177
2-benzamido-3-(2-methoxyphenyl)prop-2-enoate
CID 3610354
N-[(Z)-3-[4-(2-anilino-2-oxoethyl)sulfanylanilino]-1-(2-ethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 22187104
methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
N-[(E)-1-(2-ethoxyphenyl)-3-(1H-indol-6-ylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 19058559
N-[(E)-3-(2-benzoylhydrazinyl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 5336066
methyl (Z)-2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 13180771
methyl 2-benzamido-3-(5-methylthiophen-2-yl)prop-2-enoate
CID 4066470
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
N-[(E)-3-[3-[[(E)-2-benzamido-3-(2-methoxyphenyl)prop-2-enoyl]amino]propylamino]-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 139228873

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate (CID 1376034) is methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate is CCOc1ccccc1/C=C(/NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
The InChIKey is LDMHQPMKLQBDAN-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H19NO4/c1-3-24-17-12-8-7-11-15(17)13-16(19(22)23-2)20-18(21)14-9-5-4-6-10-14/h4-13H,3H2,1-2H3,(H,20,21)/b16-13+.
What are the key properties of methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate?
methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate has a molecular weight of 325.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-benzamido-3-(2-ethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 1376034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).