1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate

C20H23NO2 — CID 90378687

IUPAC1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1c2c(cc3ccccc13)C=CCC2
InChIInChI=1S/C20H23NO2/c1-3-21(4-2)20(22)23-14-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19/h5-7,9-11,13H,3-4,8,12,14H2,1-2H3
InChIKeyGBUFACOYNZVAQC-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.78
Rot. Bonds4

About 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate

1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate (PubChem CID 90378687) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate.

Molecular Properties

Compound Name1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate
PubChem CID90378687
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1c2c(cc3ccccc13)C=CCC2
InChIInChI=1S/C20H23NO2/c1-3-21(4-2)20(22)23-14-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19/h5-7,9-11,13H,3-4,8,12,14H2,1-2H3
InChIKeyGBUFACOYNZVAQC-UHFFFAOYSA-N
XLogP4.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate?
The IUPAC name of 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate (CID 90378687) is 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate.
What is the SMILES notation for 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate?
The canonical SMILES for 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1c2c(cc3ccccc13)C=CCC2.
What is the InChIKey of 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate?
The InChIKey is GBUFACOYNZVAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-21(4-2)20(22)23-14-19-17-11-7-5-9-15(17)13-16-10-6-8-12-18(16)19/h5-7,9-11,13H,3-4,8,12,14H2,1-2H3.
What are the key properties of 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate?
1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate has a molecular weight of 309.41 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroanthracen-9-ylmethyl N,N-diethylcarbamate is sourced from PubChem (CID 90378687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).