benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

C33H35NO3 — CID 14326866

IUPACbenzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(O)C(Cc1ccccc1)N(CCC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C33H35NO3/c1-26(35)32(24-27-14-6-2-7-15-27)34(33(36)37-25-28-16-8-3-9-17-28)23-22-31(29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-21,26,31-32,35H,22-25H2,1H3
InChIKeyMLVKUSMZNMDYCX-UHFFFAOYSA-N
MW493.65 g/mol
LogP6.84
Rot. Bonds11

About benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (PubChem CID 14326866) has the molecular formula C33H35NO3 and a molecular weight of 493.65 g/mol. Its IUPAC name is benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
PubChem CID14326866
Molecular FormulaC33H35NO3
Molecular Weight493.65 g/mol
Exact Mass493.26
IUPAC Namebenzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(O)C(Cc1ccccc1)N(CCC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C33H35NO3/c1-26(35)32(24-27-14-6-2-7-15-27)34(33(36)37-25-28-16-8-3-9-17-28)23-22-31(29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-21,26,31-32,35H,22-25H2,1H3
InChIKeyMLVKUSMZNMDYCX-UHFFFAOYSA-N
XLogP6.84
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The IUPAC name of benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (CID 14326866) is benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is CC(O)C(Cc1ccccc1)N(CCC(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The InChIKey is MLVKUSMZNMDYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35NO3/c1-26(35)32(24-27-14-6-2-7-15-27)34(33(36)37-25-28-16-8-3-9-17-28)23-22-31(29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-21,26,31-32,35H,22-25H2,1H3.
What are the key properties of benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate has a molecular weight of 493.65 g/mol, XLogP of 6.84, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3,3-diphenylpropyl)-N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 14326866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).