[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate

C27H28N2O6 — CID 29318472

IUPAC[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C27H28N2O6/c1-18(2)16-34-22-8-6-7-20(15-22)27(32)35-17-25(30)28-21-13-11-19(12-14-21)26(31)29-23-9-4-5-10-24(23)33-3/h4-15,18H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZKHOOIKAPDCFHZ-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.78
Rot. Bonds10

About [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate

[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate (PubChem CID 29318472) has the molecular formula C27H28N2O6 and a molecular weight of 476.53 g/mol. Its IUPAC name is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate.

Molecular Properties

Compound Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate
PubChem CID29318472
Molecular FormulaC27H28N2O6
Molecular Weight476.53 g/mol
Exact Mass476.19
IUPAC Name[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(OCC(C)C)c2)cc1
InChIInChI=1S/C27H28N2O6/c1-18(2)16-34-22-8-6-7-20(15-22)27(32)35-17-25(30)28-21-13-11-19(12-14-21)26(31)29-23-9-4-5-10-24(23)33-3/h4-15,18H,16-17H2,1-3H3,(H,28,30)(H,29,31)
InChIKeyZKHOOIKAPDCFHZ-UHFFFAOYSA-N
XLogP4.78
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
2-methylpropyl 3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzoate
CID 24518174
2-(2-methoxyphenoxy)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 17079559
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 42978396
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
[2-(2-methoxyanilino)-2-oxoethyl] 3-acetylbenzoate
CID 46860686
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 7863287
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
N-[2-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142483
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 3-(2-methylpropoxy)benzoate
CID 46806226

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
The IUPAC name of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate (CID 29318472) is [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate.
What is the SMILES notation for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
The canonical SMILES for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate is COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2cccc(OCC(C)C)c2)cc1.
What is the InChIKey of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
The InChIKey is ZKHOOIKAPDCFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O6/c1-18(2)16-34-22-8-6-7-20(15-22)27(32)35-17-25(30)28-21-13-11-19(12-14-21)26(31)29-23-9-4-5-10-24(23)33-3/h4-15,18H,16-17H2,1-3H3,(H,28,30)(H,29,31).
What are the key properties of [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate?
[2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate has a molecular weight of 476.53 g/mol, XLogP of 4.78, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl] 3-(2-methylpropoxy)benzoate is sourced from PubChem (CID 29318472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).