2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid

C19H21NO5 — CID 119179131

IUPAC2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(CC)c2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5/c1-3-20(15-8-6-5-7-9-15)19(23)14-10-11-16(25-13-18(21)22)17(12-14)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyIKKWSIDAUIMJCA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.22
Rot. Bonds8

About 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119179131) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
PubChem CID119179131
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)N(CC)c2ccccc2)ccc1OCC(=O)O
InChIInChI=1S/C19H21NO5/c1-3-20(15-8-6-5-7-9-15)19(23)14-10-11-16(25-13-18(21)22)17(12-14)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22)
InChIKeyIKKWSIDAUIMJCA-UHFFFAOYSA-N
XLogP3.22
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-ethyl-N-phenylbenzamide
CID 721190
3-ethoxy-N-methyl-N-phenyl-4-propoxybenzamide
CID 78783998
3-ethoxy-N-ethyl-N-naphthalen-2-yl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 60607400
3-amino-5-ethoxy-N-ethyl-N-phenylbenzamide
CID 81094810
2-[2-ethoxy-4-[methyl-[(4-methylphenyl)methyl]carbamoyl]phenoxy]acetic acid
CID 119179457
4-(dimethylamino)-N-ethyl-N-phenylbenzamide
CID 110757236
N,N-dibenzyl-3,4-diethoxybenzamide
CID 73441726
3,4-diethoxy-N,N-dimethylbenzamide
CID 3370911
3-bromo-N-ethyl-N-phenyl-4-propan-2-yloxybenzamide
CID 17355153
N'-(3,4-diethoxyphenyl)-N,N,N'-triphenyloxamide
CID 141426633
2-[4-[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119180543
3-bromo-N-ethyl-N-phenyl-4-(2-phenylethoxy)benzamide
CID 17072637

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid (CID 119179131) is 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)N(CC)c2ccccc2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is IKKWSIDAUIMJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-3-20(15-8-6-5-7-9-15)19(23)14-10-11-16(25-13-18(21)22)17(12-14)24-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 343.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[ethyl(phenyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119179131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).