methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate

C20H23NO6 — CID 3091440

IUPACmethyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-24-16-11-14(12-17(25-2)18(16)26-3)19(22)21-15(20(23)27-4)10-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3,(H,21,22)
InChIKeyISYFSYQOCAJJHT-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.23
Rot. Bonds8

About methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate

methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate (PubChem CID 3091440) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
PubChem CID3091440
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-24-16-11-14(12-17(25-2)18(16)26-3)19(22)21-15(20(23)27-4)10-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3,(H,21,22)
InChIKeyISYFSYQOCAJJHT-UHFFFAOYSA-N
XLogP2.23
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
methyl 2-[(4-amino-3,5-dimethylbenzoyl)amino]-3-phenylpropanoate
CID 20624106
(4S)-5-[[(2R)-3-(4-fluorophenyl)-1-methoxy-1-oxopropan-2-yl]amino]-5-oxo-4-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 11421043
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl (2R)-2-benzamido-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 720743
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
[2-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl] 4-bromo-3,5-dimethoxybenzoate
CID 55424458

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate (CID 3091440) is methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
The InChIKey is ISYFSYQOCAJJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-16-11-14(12-17(25-2)18(16)26-3)19(22)21-15(20(23)27-4)10-13-8-6-5-7-9-13/h5-9,11-12,15H,10H2,1-4H3,(H,21,22).
What are the key properties of methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate has a molecular weight of 373.41 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate is sourced from PubChem (CID 3091440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).