2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid

C26H27NO6 — CID 110076846

IUPAC2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
SMILESCCOc1ccc(CN(Cc2ccccc2)C(=O)COc2cc(OC)ccc2C(=O)O)cc1
InChIInChI=1S/C26H27NO6/c1-3-32-21-11-9-20(10-12-21)17-27(16-19-7-5-4-6-8-19)25(28)18-33-24-15-22(31-2)13-14-23(24)26(29)30/h4-15H,3,16-18H2,1-2H3,(H,29,30)
InChIKeyFGNFMRNSGHFIFH-UHFFFAOYSA-N
MW449.50 g/mol
LogP4.40
Rot. Bonds11

About 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid

2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid (PubChem CID 110076846) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
PubChem CID110076846
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Name2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
SMILESCCOc1ccc(CN(Cc2ccccc2)C(=O)COc2cc(OC)ccc2C(=O)O)cc1
InChIInChI=1S/C26H27NO6/c1-3-32-21-11-9-20(10-12-21)17-27(16-19-7-5-4-6-8-19)25(28)18-33-24-15-22(31-2)13-14-23(24)26(29)30/h4-15H,3,16-18H2,1-2H3,(H,29,30)
InChIKeyFGNFMRNSGHFIFH-UHFFFAOYSA-N
XLogP4.40
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic 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

2-[2-[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]-2-oxoethoxy]-5-chlorobenzoic acid
CID 110076904
5-chloro-2-[2-[(2-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethoxy]benzoic acid
CID 110076938
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976
2-[2-[(3,4-dimethoxyphenyl)methyl-[(1S)-1-phenylethyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 110076984
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-benzyl-2-(3-ethoxyphenoxy)-N-ethylacetamide
CID 112977716
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
2-(2-anilino-2-oxoethoxy)-4-methoxybenzoic acid
CID 45418219
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]benzoic acid
CID 2310232
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid (CID 110076846) is 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid is CCOc1ccc(CN(Cc2ccccc2)C(=O)COc2cc(OC)ccc2C(=O)O)cc1.
What is the InChIKey of 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid?
The InChIKey is FGNFMRNSGHFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-3-32-21-11-9-20(10-12-21)17-27(16-19-7-5-4-6-8-19)25(28)18-33-24-15-22(31-2)13-14-23(24)26(29)30/h4-15H,3,16-18H2,1-2H3,(H,29,30).
What are the key properties of 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid?
2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid has a molecular weight of 449.50 g/mol, XLogP of 4.40, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzyl-[(4-ethoxyphenyl)methyl]amino]-2-oxoethoxy]-4-methoxybenzoic acid is sourced from PubChem (CID 110076846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).