benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate

C25H25NO3 — CID 70187498

IUPACbenzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
SMILESO=C(NCC1CCc2c(O)cccc2C1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c27-23-13-7-12-21-16-18(14-15-22(21)23)17-26-25(28)29-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,24,27H,14-17H2,(H,26,28)
InChIKeyJJHNNGQHHBYNNA-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.01
Rot. Bonds5

About benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate

benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate (PubChem CID 70187498) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
PubChem CID70187498
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namebenzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate
SMILESO=C(NCC1CCc2c(O)cccc2C1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25NO3/c27-23-13-7-12-21-16-18(14-15-22(21)23)17-26-25(28)29-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,24,27H,14-17H2,(H,26,28)
InChIKeyJJHNNGQHHBYNNA-UHFFFAOYSA-N
XLogP5.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The IUPAC name of benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate (CID 70187498) is benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate.
What is the SMILES notation for benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The canonical SMILES for benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate is O=C(NCC1CCc2c(O)cccc2C1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
The InChIKey is JJHNNGQHHBYNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3/c27-23-13-7-12-21-16-18(14-15-22(21)23)17-26-25(28)29-24(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,24,27H,14-17H2,(H,26,28).
What are the key properties of benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate?
benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 5.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl N-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]carbamate is sourced from PubChem (CID 70187498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).