2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid

C20H23NO7 — CID 119186550

IUPAC2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
SMILESCOCCN(C(=O)c1cccc(OCC(=O)O)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO7/c1-25-10-9-21(15-7-8-17(26-2)18(12-15)27-3)20(24)14-5-4-6-16(11-14)28-13-19(22)23/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,23)
InChIKeyDSKDPFVUVNEICY-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.46
Rot. Bonds10

About 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid

2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid (PubChem CID 119186550) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
PubChem CID119186550
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
SMILESCOCCN(C(=O)c1cccc(OCC(=O)O)c1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO7/c1-25-10-9-21(15-7-8-17(26-2)18(12-15)27-3)20(24)14-5-4-6-16(11-14)28-13-19(22)23/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,23)
InChIKeyDSKDPFVUVNEICY-UHFFFAOYSA-N
XLogP2.46
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)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-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]benzoic acid
CID 119186551
2-[3-[butyl(2-methoxyethyl)carbamoyl]phenoxy]acetic acid
CID 120691893
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
CID 22291006
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
N-ethyl-3-methoxy-N-phenylbenzamide
CID 3345220
2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
CID 119179589
2-[3-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepine-3-carbonyl)phenoxy]acetic acid
CID 119182562
3-[[bis(2-methoxyethyl)amino]methoxy]benzoic acid
CID 20989136
2-[3-[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448840
N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]-N-methyl-3-phenoxybenzamide
CID 10277257
2-(aminomethyl)-N-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119803293

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid (CID 119186550) is 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid is COCCN(C(=O)c1cccc(OCC(=O)O)c1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
The InChIKey is DSKDPFVUVNEICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-25-10-9-21(15-7-8-17(26-2)18(12-15)27-3)20(24)14-5-4-6-16(11-14)28-13-19(22)23/h4-8,11-12H,9-10,13H2,1-3H3,(H,22,23).
What are the key properties of 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid?
2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid has a molecular weight of 389.40 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,4-dimethoxyphenyl)-(2-methoxyethyl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119186550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).