anthracen-9-ylmethyl N,N-diethylcarbamate

C20H21NO2 — CID 58444338

IUPACanthracen-9-ylmethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H21NO2/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/h5-13H,3-4,14H2,1-2H3
InChIKeyZWDNVDDEDBXBMD-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.97
Rot. Bonds4

About anthracen-9-ylmethyl N,N-diethylcarbamate

anthracen-9-ylmethyl N,N-diethylcarbamate (PubChem CID 58444338) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is anthracen-9-ylmethyl N,N-diethylcarbamate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl N,N-diethylcarbamate
PubChem CID58444338
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Nameanthracen-9-ylmethyl N,N-diethylcarbamate
SMILESCCN(CC)C(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H21NO2/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/h5-13H,3-4,14H2,1-2H3
InChIKeyZWDNVDDEDBXBMD-UHFFFAOYSA-N
XLogP4.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl N,N-diethylcarbamate?
The IUPAC name of anthracen-9-ylmethyl N,N-diethylcarbamate (CID 58444338) is anthracen-9-ylmethyl N,N-diethylcarbamate.
What is the SMILES notation for anthracen-9-ylmethyl N,N-diethylcarbamate?
The canonical SMILES for anthracen-9-ylmethyl N,N-diethylcarbamate is CCN(CC)C(=O)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl N,N-diethylcarbamate?
The InChIKey is ZWDNVDDEDBXBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/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/h5-13H,3-4,14H2,1-2H3.
What are the key properties of anthracen-9-ylmethyl N,N-diethylcarbamate?
anthracen-9-ylmethyl N,N-diethylcarbamate has a molecular weight of 307.39 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl N,N-diethylcarbamate is sourced from PubChem (CID 58444338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).