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

C21H24N2O5 — CID 7782334

IUPAC[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-4-27-18-11-9-17(10-12-18)23-20(25)15-5-7-16(8-6-15)22-19(24)13-28-21(26)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLPFHJVONDUJZKC-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.48
Rot. Bonds8

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

[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate (PubChem CID 7782334) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
PubChem CID7782334
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate
SMILESCCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C21H24N2O5/c1-4-27-18-11-9-17(10-12-18)23-20(25)15-5-7-16(8-6-15)22-19(24)13-28-21(26)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyLPFHJVONDUJZKC-UHFFFAOYSA-N
XLogP3.48
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-ethylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]-3-methylbutanoate
CID 55305811
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 4-bromobenzoate
CID 55318570
N-(4-ethoxyphenyl)-4-[(2-hydroxyacetyl)amino]benzamide
CID 8006880
N-(4-ethoxyphenyl)-4-[[2-(4-fluorophenoxy)acetyl]amino]benzamide
CID 26218143
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-methylfuran-2-carboxylate
CID 27118112
2-(4-ethoxyphenoxy)-N-(4-propan-2-yloxyphenyl)acetamide
CID 19177758
4-ethoxy-N-pyridin-4-ylbenzamide
CID 803153
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 35945529

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
The IUPAC name of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate (CID 7782334) is [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate.
What is the SMILES notation for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
The canonical SMILES for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate is CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)C(C)C)cc2)cc1.
What is the InChIKey of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
The InChIKey is LPFHJVONDUJZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-4-27-18-11-9-17(10-12-18)23-20(25)15-5-7-16(8-6-15)22-19(24)13-28-21(26)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate?
[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate has a molecular weight of 384.43 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 2-methylpropanoate is sourced from PubChem (CID 7782334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).