ethyl N-benzhydryl-N-methylcarbamate

C17H19NO2 — CID 10778396

IUPACethyl N-benzhydryl-N-methylcarbamate
SMILESCCOC(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)18(2)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3
InChIKeyTZLFZYAIDSIIIX-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.86
Rot. Bonds4

About ethyl N-benzhydryl-N-methylcarbamate

ethyl N-benzhydryl-N-methylcarbamate (PubChem CID 10778396) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl N-benzhydryl-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-benzhydryl-N-methylcarbamate
PubChem CID10778396
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl N-benzhydryl-N-methylcarbamate
SMILESCCOC(=O)N(C)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)18(2)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3
InChIKeyTZLFZYAIDSIIIX-UHFFFAOYSA-N
XLogP3.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-benzhydryl-N-methylcarbamate?
The IUPAC name of ethyl N-benzhydryl-N-methylcarbamate (CID 10778396) is ethyl N-benzhydryl-N-methylcarbamate.
What is the SMILES notation for ethyl N-benzhydryl-N-methylcarbamate?
The canonical SMILES for ethyl N-benzhydryl-N-methylcarbamate is CCOC(=O)N(C)C(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl N-benzhydryl-N-methylcarbamate?
The InChIKey is TZLFZYAIDSIIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-20-17(19)18(2)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16H,3H2,1-2H3.
What are the key properties of ethyl N-benzhydryl-N-methylcarbamate?
ethyl N-benzhydryl-N-methylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-benzhydryl-N-methylcarbamate is sourced from PubChem (CID 10778396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).