2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid

C20H23NO6 — CID 119180523

IUPAC2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2ccccc2OC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO6/c1-4-25-18-11-14(9-10-17(18)26-12-19(22)23)20(24)21-15-7-5-6-8-16(15)27-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDJZZIBUHKYRAFN-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.59
Rot. Bonds9

About 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119180523) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
PubChem CID119180523
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2ccccc2OC(C)C)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO6/c1-4-25-18-11-14(9-10-17(18)26-12-19(22)23)20(24)21-15-7-5-6-8-16(15)27-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyDJZZIBUHKYRAFN-UHFFFAOYSA-N
XLogP3.59
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-3-methyl-N-(2-propan-2-yloxyphenyl)benzamide
CID 86938124
3-bromo-4-ethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151006
3-bromo-N-(2-ethoxyphenyl)-4-propan-2-yloxybenzamide
CID 17355255
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3-bromo-4-propan-2-yloxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150992
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119183841
3-ethoxy-N-(2-methoxyphenyl)-4-phenylmethoxybenzamide
CID 126087524
2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179401
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
3-chloro-N-[2-(difluoromethoxy)phenyl]-4-ethoxybenzamide
CID 1256588

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid (CID 119180523) is 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)Nc2ccccc2OC(C)C)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is DJZZIBUHKYRAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-25-18-11-14(9-10-17(18)26-12-19(22)23)20(24)21-15-7-5-6-8-16(15)27-13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119180523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).