2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate

C23H25NO6 — CID 130191243

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccccc1C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C23H25NO6/c1-16(2)22(26)29-14-15-30-23(27)20-7-5-4-6-19(20)21(25)24-13-12-17-8-10-18(28-3)11-9-17/h4-11H,1,12-15H2,2-3H3,(H,24,25)
InChIKeyYMBPLUASTYJVSM-UHFFFAOYSA-N
MW411.45 g/mol
LogP2.94
Rot. Bonds10

About 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate

2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate (PubChem CID 130191243) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate
PubChem CID130191243
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate
SMILESC=C(C)C(=O)OCCOC(=O)c1ccccc1C(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C23H25NO6/c1-16(2)22(26)29-14-15-30-23(27)20-7-5-4-6-19(20)21(25)24-13-12-17-8-10-18(28-3)11-9-17/h4-11H,1,12-15H2,2-3H3,(H,24,25)
InChIKeyYMBPLUASTYJVSM-UHFFFAOYSA-N
XLogP2.94
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
methyl 2-(2-phenylethylcarbamoyl)benzoate
CID 23935800
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
2-[2-(4-methoxyphenyl)acetyl]oxyethyl 2-methylprop-2-enoate
CID 118031006
N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 2516124
2-amino-N-[2-(4-methoxyphenyl)ethylcarbamoyl]benzamide
CID 108901974
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanylbenzoate
CID 42590255
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-[2-(4-methoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100708090
1-[2-(4-methoxyphenyl)ethyl]-3-prop-1-en-2-ylurea
CID 108910187

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate (CID 130191243) is 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate is C=C(C)C(=O)OCCOC(=O)c1ccccc1C(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate?
The InChIKey is YMBPLUASTYJVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO6/c1-16(2)22(26)29-14-15-30-23(27)20-7-5-4-6-19(20)21(25)24-13-12-17-8-10-18(28-3)11-9-17/h4-11H,1,12-15H2,2-3H3,(H,24,25).
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate?
2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate has a molecular weight of 411.45 g/mol, XLogP of 2.94, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-[2-(4-methoxyphenyl)ethylcarbamoyl]benzoate is sourced from PubChem (CID 130191243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).