methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

C37H33NO6 — CID 77216139

IUPACmethyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C37H33NO6/c1-41-37(40)35(24-27-12-18-31(19-13-27)42-25-28-8-4-2-5-9-28)38-36(39)30-16-22-32(23-17-30)43-26-29-14-20-34(21-15-29)44-33-10-6-3-7-11-33/h2-23,35H,24-26H2,1H3,(H,38,39)
InChIKeyFOSOHSQBBLBHGJ-UHFFFAOYSA-N
MW587.67 g/mol
LogP7.15
Rot. Bonds13

About methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate

methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate (PubChem CID 77216139) has the molecular formula C37H33NO6 and a molecular weight of 587.67 g/mol. Its IUPAC name is methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
PubChem CID77216139
Molecular FormulaC37H33NO6
Molecular Weight587.67 g/mol
Exact Mass587.23
IUPAC Namemethyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C37H33NO6/c1-41-37(40)35(24-27-12-18-31(19-13-27)42-25-28-8-4-2-5-9-28)38-36(39)30-16-22-32(23-17-30)43-26-29-14-20-34(21-15-29)44-33-10-6-3-7-11-33/h2-23,35H,24-26H2,1H3,(H,38,39)
InChIKeyFOSOHSQBBLBHGJ-UHFFFAOYSA-N
XLogP7.15
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.67
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate 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-[[4-(2-naphthalen-2-ylethoxy)benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 66912801
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
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-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626
benzyl (2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 177492417
methyl 4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamoyl]benzoate
CID 17178335
methyl 2-[[4-[2-[2-(3-methoxyphenyl)anilino]-2-oxoethoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 66912656
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-2-[(2-methoxy-2-oxoethyl)amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 170966374
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
methyl (2S)-2-[[4-(dimethylamino)benzoyl]amino]-3-phenylpropanoate
CID 27228197
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 67578288

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
The IUPAC name of methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate (CID 77216139) is methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate.
What is the SMILES notation for methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
The canonical SMILES for methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate is COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(OCc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
The InChIKey is FOSOHSQBBLBHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33NO6/c1-41-37(40)35(24-27-12-18-31(19-13-27)42-25-28-8-4-2-5-9-28)38-36(39)30-16-22-32(23-17-30)43-26-29-14-20-34(21-15-29)44-33-10-6-3-7-11-33/h2-23,35H,24-26H2,1H3,(H,38,39).
What are the key properties of methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate?
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate has a molecular weight of 587.67 g/mol, XLogP of 7.15, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate is sourced from PubChem (CID 77216139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).