methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate

C19H21NO5 — CID 10360063

IUPACmethyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-23-16-10-9-14(12-17(16)24-2)18(21)20-15(19(22)25-3)11-13-7-5-4-6-8-13/h4-10,12,15H,11H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyAYUOUVRBTAJZAP-HNNXBMFYSA-N
MW343.38 g/mol
LogP2.22
Rot. Bonds7

About methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate

methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate (PubChem CID 10360063) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
PubChem CID10360063
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Namemethyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21NO5/c1-23-16-10-9-14(12-17(16)24-2)18(21)20-15(19(22)25-3)11-13-7-5-4-6-8-13/h4-10,12,15H,11H2,1-3H3,(H,20,21)/t15-/m0/s1
InChIKeyAYUOUVRBTAJZAP-HNNXBMFYSA-N
XLogP2.22
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]propanoate
CID 3091440
methyl 2-[4-[(3,4-dimethoxybenzoyl)amino]butanoylamino]-3-phenylpropanoate
CID 51064831
[2-(4-methylphenyl)-2-oxoethyl] 2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 3513552
3,4-dimethoxy-N-(1-phenylpropan-2-yl)benzamide
CID 2843229
methyl 2-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 17177933
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-2-hydroxy-4-phenylbut-1-ene-1-diazonium
CID 7407855
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-hydroxypropanoate
CID 9277507
methyl (2S)-2-[(3,4-difluorobenzoyl)amino]-3-phenylpropanoate
CID 38031742
ethyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 140996203
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
(2S)-3-(4-hydroxyphenyl)-2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]propanoic acid
CID 2577208
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-4-oxo-4-phenylmethoxybutanoic acid;hydrochloride
CID 175958288

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate (CID 10360063) is methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate?
The InChIKey is AYUOUVRBTAJZAP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-23-16-10-9-14(12-17(16)24-2)18(21)20-15(19(22)25-3)11-13-7-5-4-6-8-13/h4-10,12,15H,11H2,1-3H3,(H,20,21)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate?
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate has a molecular weight of 343.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 10360063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).