benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate

C24H21NO3 — CID 2187862

IUPACbenzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H21NO3/c1-18-12-14-19(15-13-18)16-22(25-23(26)21-10-6-3-7-11-21)24(27)28-17-20-8-4-2-5-9-20/h2-16H,17H2,1H3,(H,25,26)/b22-16-
InChIKeyKZPAYBKKGXXRRN-JWGURIENSA-N
MW371.44 g/mol
LogP4.51
Rot. Bonds6

About benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate

benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate (PubChem CID 2187862) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Namebenzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate
PubChem CID2187862
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Namebenzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate
SMILESCc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OCc2ccccc2)cc1
InChIInChI=1S/C24H21NO3/c1-18-12-14-19(15-13-18)16-22(25-23(26)21-10-6-3-7-11-21)24(27)28-17-20-8-4-2-5-9-20/h2-16H,17H2,1H3,(H,25,26)/b22-16-
InChIKeyKZPAYBKKGXXRRN-JWGURIENSA-N
XLogP4.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate?
The IUPAC name of benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate (CID 2187862) is benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate.
What is the SMILES notation for benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate?
The canonical SMILES for benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate is Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate?
The InChIKey is KZPAYBKKGXXRRN-JWGURIENSA-N. The full InChI is InChI=1S/C24H21NO3/c1-18-12-14-19(15-13-18)16-22(25-23(26)21-10-6-3-7-11-21)24(27)28-17-20-8-4-2-5-9-20/h2-16H,17H2,1H3,(H,25,26)/b22-16-.
What are the key properties of benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate?
benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate has a molecular weight of 371.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (Z)-2-benzamido-3-(4-methylphenyl)prop-2-enoate is sourced from PubChem (CID 2187862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).