methyl N-(2-methyl-9H-xanthen-9-yl)carbamate

C16H15NO3 — CID 3833299

IUPACmethyl N-(2-methyl-9H-xanthen-9-yl)carbamate
SMILESCOC(=O)NC1c2ccccc2Oc2ccc(C)cc21
InChIInChI=1S/C16H15NO3/c1-10-7-8-14-12(9-10)15(17-16(18)19-2)11-5-3-4-6-13(11)20-14/h3-9,15H,1-2H3,(H,17,18)
InChIKeyAWJIHWKMSGZIMD-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.55
Rot. Bonds1

About methyl N-(2-methyl-9H-xanthen-9-yl)carbamate

methyl N-(2-methyl-9H-xanthen-9-yl)carbamate (PubChem CID 3833299) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methyl N-(2-methyl-9H-xanthen-9-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-methyl-9H-xanthen-9-yl)carbamate
PubChem CID3833299
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethyl N-(2-methyl-9H-xanthen-9-yl)carbamate
SMILESCOC(=O)NC1c2ccccc2Oc2ccc(C)cc21
InChIInChI=1S/C16H15NO3/c1-10-7-8-14-12(9-10)15(17-16(18)19-2)11-5-3-4-6-13(11)20-14/h3-9,15H,1-2H3,(H,17,18)
InChIKeyAWJIHWKMSGZIMD-UHFFFAOYSA-N
XLogP3.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-methyl-9H-xanthen-9-yl)carbamate?
The IUPAC name of methyl N-(2-methyl-9H-xanthen-9-yl)carbamate (CID 3833299) is methyl N-(2-methyl-9H-xanthen-9-yl)carbamate.
What is the SMILES notation for methyl N-(2-methyl-9H-xanthen-9-yl)carbamate?
The canonical SMILES for methyl N-(2-methyl-9H-xanthen-9-yl)carbamate is COC(=O)NC1c2ccccc2Oc2ccc(C)cc21.
What is the InChIKey of methyl N-(2-methyl-9H-xanthen-9-yl)carbamate?
The InChIKey is AWJIHWKMSGZIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-10-7-8-14-12(9-10)15(17-16(18)19-2)11-5-3-4-6-13(11)20-14/h3-9,15H,1-2H3,(H,17,18).
What are the key properties of methyl N-(2-methyl-9H-xanthen-9-yl)carbamate?
methyl N-(2-methyl-9H-xanthen-9-yl)carbamate has a molecular weight of 269.30 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-methyl-9H-xanthen-9-yl)carbamate is sourced from PubChem (CID 3833299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).