methyl N-(3,3-diphenylpropyl)carbamate

C17H19NO2 — CID 844094

IUPACmethyl N-(3,3-diphenylpropyl)carbamate
SMILESCOC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-17(19)18-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,18,19)
InChIKeyXYUDYANMAIPTEC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.56
Rot. Bonds5

About methyl N-(3,3-diphenylpropyl)carbamate

methyl N-(3,3-diphenylpropyl)carbamate (PubChem CID 844094) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl N-(3,3-diphenylpropyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3,3-diphenylpropyl)carbamate
PubChem CID844094
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namemethyl N-(3,3-diphenylpropyl)carbamate
SMILESCOC(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-20-17(19)18-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,18,19)
InChIKeyXYUDYANMAIPTEC-UHFFFAOYSA-N
XLogP3.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3,3-diphenylpropyl)carbamate?
The IUPAC name of methyl N-(3,3-diphenylpropyl)carbamate (CID 844094) is methyl N-(3,3-diphenylpropyl)carbamate.
What is the SMILES notation for methyl N-(3,3-diphenylpropyl)carbamate?
The canonical SMILES for methyl N-(3,3-diphenylpropyl)carbamate is COC(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N-(3,3-diphenylpropyl)carbamate?
The InChIKey is XYUDYANMAIPTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-17(19)18-13-12-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16H,12-13H2,1H3,(H,18,19).
What are the key properties of methyl N-(3,3-diphenylpropyl)carbamate?
methyl N-(3,3-diphenylpropyl)carbamate has a molecular weight of 269.34 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3,3-diphenylpropyl)carbamate is sourced from PubChem (CID 844094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).