methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate

C24H23NO5 — CID 90753894

IUPACmethyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)C(NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO5/c1-28-23(26)22(25-24(27)30-17-19-10-6-3-7-11-19)20-12-14-21(15-13-20)29-16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyVFHYTOXRIMLCOA-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.41
Rot. Bonds8

About methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate

methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate (PubChem CID 90753894) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
PubChem CID90753894
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namemethyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate
SMILESCOC(=O)C(NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23NO5/c1-28-23(26)22(25-24(27)30-17-19-10-6-3-7-11-19)20-12-14-21(15-13-20)29-16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,25,27)
InChIKeyVFHYTOXRIMLCOA-UHFFFAOYSA-N
XLogP4.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)acetate
CID 23034566
bromomethylbenzene;methyl (2R)-2-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylmethoxyphenyl)acetate
CID 158810628
benzyl N-[(2R)-1-hydroxy-3-methyl-1-(4-phenylmethoxyphenyl)butan-2-yl]carbamate
CID 11750488
(2S)-2-phenyl-2-(phenylmethoxycarbonylamino)acetic acid
CID 819214
methyl (2S)-3-methyl-2-[[(2R)-2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]butanoate
CID 134817279
benzyl N-[2-(cyanomethylamino)-2-oxo-1-phenylethyl]carbamate
CID 73006787
2-(4-methylsulfonyloxyphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 87297584
methyl (2R)-2-[(4-bromophenyl)sulfonylamino]-2-(4-phenylmethoxyphenyl)acetate
CID 154634382
methyl 3-hydroxy-2-methoxy-3-(4-phenylmethoxyphenyl)propanoate
CID 18443703
benzyl (2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 14420293
methyl 2-(phenylmethoxycarbonylamino)butanoate
CID 562283
methyl (2R)-4-oxo-2-(4-phenylmethoxyphenyl)butanoate
CID 86314561

Frequently Asked Questions

What is the IUPAC name of methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate?
The IUPAC name of methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate (CID 90753894) is methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate?
The canonical SMILES for methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate is COC(=O)C(NC(=O)OCc1ccccc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate?
The InChIKey is VFHYTOXRIMLCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO5/c1-28-23(26)22(25-24(27)30-17-19-10-6-3-7-11-19)20-12-14-21(15-13-20)29-16-18-8-4-2-5-9-18/h2-15,22H,16-17H2,1H3,(H,25,27).
What are the key properties of methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate?
methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate has a molecular weight of 405.45 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(phenylmethoxycarbonylamino)-2-(4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 90753894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).