ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate

C20H23NO4 — CID 3690189

IUPACethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H23NO4/c1-5-24-20(23)15(4)25-17-11-9-16(10-12-17)19(22)21-18-8-6-7-13(2)14(18)3/h6-12,15H,5H2,1-4H3,(H,21,22)
InChIKeyGCVBBFDBBZMPNW-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.89
Rot. Bonds6

About ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate

ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate (PubChem CID 3690189) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
PubChem CID3690189
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Nameethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C20H23NO4/c1-5-24-20(23)15(4)25-17-11-9-16(10-12-17)19(22)21-18-8-6-7-13(2)14(18)3/h6-12,15H,5H2,1-4H3,(H,21,22)
InChIKeyGCVBBFDBBZMPNW-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate 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

N-(2,3-dimethylphenyl)-4-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]oxybenzamide
CID 1179504
butyl 2-[4-[(3-chloro-2-methylphenyl)carbamoyl]phenoxy]propanoate
CID 5076941
ethyl (2R)-2-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]propanoate
CID 731943
ethyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543069
4-[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl]oxy-N-(2,3-dimethylphenyl)benzamide
CID 1179525
butyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229096
N-(2,3-dimethylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266130
propyl 2-[4-[(2,4-dimethylphenyl)carbamoyl]phenoxy]propanoate
CID 5065242
pentyl 2-[4-[(2-ethylphenyl)carbamoyl]phenoxy]propanoate
CID 4229182
pentyl (2S)-2-[4-[(2-ethoxyphenyl)carbamoyl]phenoxy]propanoate
CID 7695459
propyl 2-[4-[(2,6-diethylphenyl)carbamoyl]phenoxy]propanoate
CID 3543070
N-(2,3-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789567

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate (CID 3690189) is ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate?
The InChIKey is GCVBBFDBBZMPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-5-24-20(23)15(4)25-17-11-9-16(10-12-17)19(22)21-18-8-6-7-13(2)14(18)3/h6-12,15H,5H2,1-4H3,(H,21,22).
What are the key properties of ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate?
ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate has a molecular weight of 341.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2,3-dimethylphenyl)carbamoyl]phenoxy]propanoate is sourced from PubChem (CID 3690189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).