2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid

C20H23NO6 — CID 119183841

IUPAC2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2cccc(C(C)OC)c2)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO6/c1-4-26-18-11-15(8-9-17(18)27-12-19(22)23)20(24)21-16-7-5-6-14(10-16)13(2)25-3/h5-11,13H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBVKSEFABLDTBKY-UHFFFAOYSA-N
MW373.41 g/mol
LogP3.51
Rot. Bonds9

About 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 119183841) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID119183841
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)Nc2cccc(C(C)OC)c2)ccc1OCC(=O)O
InChIInChI=1S/C20H23NO6/c1-4-26-18-11-15(8-9-17(18)27-12-19(22)23)20(24)21-16-7-5-6-14(10-16)13(2)25-3/h5-11,13H,4,12H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyBVKSEFABLDTBKY-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-[(2-propan-2-yloxyphenyl)carbamoyl]phenoxy]acetic acid
CID 119180523
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
2-[2-ethoxy-4-(2-phenylbutylcarbamoyl)phenoxy]acetic acid
CID 119179703
3-[(4-ethoxy-3-methoxybenzoyl)amino]benzoic acid
CID 45426053
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-[1-(3-acetamidophenyl)ethyl]-3-ethoxy-4-methoxybenzamide
CID 55585613
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179401

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid (CID 119183841) is 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)Nc2cccc(C(C)OC)c2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is BVKSEFABLDTBKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-4-26-18-11-15(8-9-17(18)27-12-19(22)23)20(24)21-16-7-5-6-14(10-16)13(2)25-3/h5-11,13H,4,12H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of 2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 373.41 g/mol, XLogP of 3.51, 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-[[3-(1-methoxyethyl)phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119183841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).