methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate

C26H27NO6 — CID 18675620

IUPACmethyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate
SMILESCOC(=O)C(O)C(OCCNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO6/c1-31-24(29)23(28)26(21-13-7-3-8-14-21,22-15-9-4-10-16-22)33-18-17-27-25(30)32-19-20-11-5-2-6-12-20/h2-16,23,28H,17-19H2,1H3,(H,27,30)
InChIKeyRZQAVVHMZOLHMQ-UHFFFAOYSA-N
MW449.50 g/mol
LogP3.41
Rot. Bonds10

About methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate

methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate (PubChem CID 18675620) has the molecular formula C26H27NO6 and a molecular weight of 449.50 g/mol. Its IUPAC name is methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate
PubChem CID18675620
Molecular FormulaC26H27NO6
Molecular Weight449.50 g/mol
Exact Mass449.18
IUPAC Namemethyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate
SMILESCOC(=O)C(O)C(OCCNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H27NO6/c1-31-24(29)23(28)26(21-13-7-3-8-14-21,22-15-9-4-10-16-22)33-18-17-27-25(30)32-19-20-11-5-2-6-12-20/h2-16,23,28H,17-19H2,1H3,(H,27,30)
InChIKeyRZQAVVHMZOLHMQ-UHFFFAOYSA-N
XLogP3.41
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(3-hydroxybutyl)carbamate
CID 54160471
benzyl N-[5-[bis(4-methoxyphenyl)-phenylmethoxy]-3-hydroxypentyl]carbamate
CID 68749958
benzyl 3-ethoxy-2-hydroxy-3,3-diphenylpropanoate
CID 57122421
benzyl N-[(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]butyl]carbamate
CID 70035125
benzyl N-[(2S)-2-hydroxy-4-trityloxybutyl]carbamate
CID 59735285
methyl 3-[methoxy-[2-(phenylmethoxycarbonylamino)ethyl]phosphoryl]-2-methylpropanoate
CID 67908233
methyl 4-[2-(phenylmethoxycarbonylamino)ethoxymethyl]benzoate
CID 18928600
methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 58058033
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
benzyl N-[2-[[(E,4R)-4-hydroxypent-2-enoyl]amino]ethyl]carbamate
CID 118487615
benzyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 125117230
benzyl N-(3,4-dihydroxybutyl)carbamate
CID 66736526

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate?
The IUPAC name of methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate (CID 18675620) is methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate?
The canonical SMILES for methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate is COC(=O)C(O)C(OCCNC(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate?
The InChIKey is RZQAVVHMZOLHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO6/c1-31-24(29)23(28)26(21-13-7-3-8-14-21,22-15-9-4-10-16-22)33-18-17-27-25(30)32-19-20-11-5-2-6-12-20/h2-16,23,28H,17-19H2,1H3,(H,27,30).
What are the key properties of methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate?
methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate has a molecular weight of 449.50 g/mol, XLogP of 3.41, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3,3-diphenyl-3-[2-(phenylmethoxycarbonylamino)ethoxy]propanoate is sourced from PubChem (CID 18675620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).