[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate

C20H22N2O5 — CID 2459710

IUPAC[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C(C)C)cc1
InChIInChI=1S/C20H22N2O5/c1-13(2)20(25)27-12-18(23)21-15-10-8-14(9-11-15)19(24)22-16-6-4-5-7-17(16)26-3/h4-11,13H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDGAWOSFDUAXOSR-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.09
Rot. Bonds7

About [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate

[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate (PubChem CID 2459710) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
PubChem CID2459710
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C(C)C)cc1
InChIInChI=1S/C20H22N2O5/c1-13(2)20(25)27-12-18(23)21-15-10-8-14(9-11-15)19(24)22-16-6-4-5-7-17(16)26-3/h4-11,13H,12H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyDGAWOSFDUAXOSR-UHFFFAOYSA-N
XLogP3.09
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate (CID 2459710) is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate is COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)C(C)C)cc1.
What is the InChIKey of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
The InChIKey is DGAWOSFDUAXOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(2)20(25)27-12-18(23)21-15-10-8-14(9-11-15)19(24)22-16-6-4-5-7-17(16)26-3/h4-11,13H,12H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate has a molecular weight of 370.41 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 2459710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).