ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate

C22H26N2O5 — CID 113164779

IUPACethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(CCc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C22H26N2O5/c1-4-29-22(27)19-10-5-6-11-20(19)23-21(26)15-24(16(2)25)13-12-17-8-7-9-18(14-17)28-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,26)
InChIKeySRSGGPMQUDYJKN-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.90
Rot. Bonds9

About ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate

ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate (PubChem CID 113164779) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
PubChem CID113164779
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Nameethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN(CCc1cccc(OC)c1)C(C)=O
InChIInChI=1S/C22H26N2O5/c1-4-29-22(27)19-10-5-6-11-20(19)23-21(26)15-24(16(2)25)13-12-17-8-7-9-18(14-17)28-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,26)
InChIKeySRSGGPMQUDYJKN-UHFFFAOYSA-N
XLogP2.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate 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

methyl 2-[3-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]propanoylamino]benzoate
CID 113121431
ethyl 2-[[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropanoyl]amino]benzoate
CID 108948749
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(4-methylphenyl)acetamide
CID 113164708
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-[4-(diethylamino)phenyl]acetamide
CID 113164764
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-butylacetamide
CID 113164636
2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]-N-(3,4-dichlorophenyl)acetamide
CID 113164773
ethyl 2-[[2-[acetyl(prop-2-enyl)amino]acetyl]amino]benzoate
CID 84570057
ethyl 2-[3-[acetyl(benzyl)amino]propanoylamino]benzoate
CID 113118359
2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113166959
methyl 2-[[2-[acetyl(butyl)amino]acetyl]amino]benzoate
CID 113158758
ethyl 2-[[2-[acetyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162670
ethyl 2-[[2-[acetyl-[(2-fluorophenyl)methyl]amino]acetyl]amino]benzoate
CID 113162313

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate (CID 113164779) is ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN(CCc1cccc(OC)c1)C(C)=O.
What is the InChIKey of ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
The InChIKey is SRSGGPMQUDYJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-4-29-22(27)19-10-5-6-11-20(19)23-21(26)15-24(16(2)25)13-12-17-8-7-9-18(14-17)28-3/h5-11,14H,4,12-13,15H2,1-3H3,(H,23,26).
What are the key properties of ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate?
ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate has a molecular weight of 398.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]acetyl]amino]benzoate is sourced from PubChem (CID 113164779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).