methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate

C21H24N2O5 — CID 24554412

IUPACmethyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
SMILESCCOc1ccccc1C(=O)NCC(=O)NC(CC(=O)OC)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-3-28-18-12-8-7-11-16(18)21(26)22-14-19(24)23-17(13-20(25)27-2)15-9-5-4-6-10-15/h4-12,17H,3,13-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyTXFCKHZKSXKVMD-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.24
Rot. Bonds9

About methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate

methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate (PubChem CID 24554412) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
PubChem CID24554412
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Namemethyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate
SMILESCCOc1ccccc1C(=O)NCC(=O)NC(CC(=O)OC)c1ccccc1
InChIInChI=1S/C21H24N2O5/c1-3-28-18-12-8-7-11-16(18)21(26)22-14-19(24)23-17(13-20(25)27-2)15-9-5-4-6-10-15/h4-12,17H,3,13-14H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyTXFCKHZKSXKVMD-UHFFFAOYSA-N
XLogP2.24
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 40856393
[2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7519378
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]acetic acid
CID 43387480
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
methyl 3-[[2-(methylamino)acetyl]amino]-3-phenylpropanoate
CID 119695221
2-ethoxy-N-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]benzamide
CID 46654191
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
3-[[2-(2-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 45461296
methyl (3R)-3-[[2-[(3,4-difluorobenzoyl)amino]acetyl]amino]-3-phenylpropanoate
CID 52505542

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
The IUPAC name of methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate (CID 24554412) is methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate is CCOc1ccccc1C(=O)NCC(=O)NC(CC(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
The InChIKey is TXFCKHZKSXKVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-3-28-18-12-8-7-11-16(18)21(26)22-14-19(24)23-17(13-20(25)27-2)15-9-5-4-6-10-15/h4-12,17H,3,13-14H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate?
methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate has a molecular weight of 384.43 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(2-ethoxybenzoyl)amino]acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 24554412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).