methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate

C31H29NO5 — CID 66912841

IUPACmethyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C31H29NO5/c1-35-31(34)29(19-23-10-4-2-5-11-23)32-30(33)26-15-9-17-28(20-26)37-22-25-14-8-16-27(18-25)36-21-24-12-6-3-7-13-24/h2-18,20,29H,19,21-22H2,1H3,(H,32,33)/t29-/m0/s1
InChIKeyQNFYQDVYFRSORM-LJAQVGFWSA-N
MW495.58 g/mol
LogP5.36
Rot. Bonds11

About methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate

methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate (PubChem CID 66912841) has the molecular formula C31H29NO5 and a molecular weight of 495.58 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
PubChem CID66912841
Molecular FormulaC31H29NO5
Molecular Weight495.58 g/mol
Exact Mass495.20
IUPAC Namemethyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C31H29NO5/c1-35-31(34)29(19-23-10-4-2-5-11-23)32-30(33)26-15-9-17-28(20-26)37-22-25-14-8-16-27(18-25)36-21-24-12-6-3-7-13-24/h2-18,20,29H,19,21-22H2,1H3,(H,32,33)/t29-/m0/s1
InChIKeyQNFYQDVYFRSORM-LJAQVGFWSA-N
XLogP5.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.58
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate with MolForge

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Related Compounds

methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206
methyl (2S)-2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 32726912
methyl 2-[[3-[(4-methyl-1,2,5-thiadiazol-3-yl)methoxy]benzoyl]amino]-3-phenylpropanoate
CID 75769179
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
methyl (2S)-2-[(3-iodobenzoyl)amino]-3-phenylpropanoate
CID 8010917
methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-phenylmethoxyphenyl)propanoate
CID 101162727
3-phenylmethoxy-N-[(1S)-1-phenylpropyl]benzamide
CID 93234582
methyl (2S)-2-[(3,4-dimethoxybenzoyl)amino]-3-phenylpropanoate
CID 10360063
3-phenyl-2-[(3-propoxybenzoyl)amino]propanoic acid
CID 119165643
benzyl (2R)-2-[(2-phenylacetyl)amino]-3-(3-phenylmethoxyphenyl)propanoate
CID 124746412
N-[(1S)-1-(4-methoxyphenyl)propyl]-3-phenylmethoxybenzamide
CID 38005412

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate (CID 66912841) is methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate?
The InChIKey is QNFYQDVYFRSORM-LJAQVGFWSA-N. The full InChI is InChI=1S/C31H29NO5/c1-35-31(34)29(19-23-10-4-2-5-11-23)32-30(33)26-15-9-17-28(20-26)37-22-25-14-8-16-27(18-25)36-21-24-12-6-3-7-13-24/h2-18,20,29H,19,21-22H2,1H3,(H,32,33)/t29-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate?
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate has a molecular weight of 495.58 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate is sourced from PubChem (CID 66912841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).