anthracen-9-ylmethyl N-methylcarbamate

C17H15NO2 — CID 90378707

IUPACanthracen-9-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15NO2/c1-18-17(19)20-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyAAYWAEYRQCMRBU-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.85
Rot. Bonds2

About anthracen-9-ylmethyl N-methylcarbamate

anthracen-9-ylmethyl N-methylcarbamate (PubChem CID 90378707) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is anthracen-9-ylmethyl N-methylcarbamate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl N-methylcarbamate
PubChem CID90378707
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameanthracen-9-ylmethyl N-methylcarbamate
SMILESCNC(=O)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15NO2/c1-18-17(19)20-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,11H2,1H3,(H,18,19)
InChIKeyAAYWAEYRQCMRBU-UHFFFAOYSA-N
XLogP3.85
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Anthracenemethanol, acetate
CID 27876
naphthalen-1-ylmethyl N-cyclohexylcarbamate
CID 22978777
9-anthrylmethyl N-cyclohexylcarbamate
CID 22978795
(Anthracen-9-yl)methyl octylcarbamate
CID 325125
(Anthracen-9-yl)methyl (diphenylmethyl)carbamate
CID 325127
1-Napthyl methylcarbamate
CID 10536074
Naphthalen-2-ylmethyl carbamate
CID 10655690
(Anthracen-9-yl)methyl dioctylcarbamate
CID 12321367
(r)-Naphthylethyl carbamate
CID 14959372
Napthylethylcarbamate
CID 14959373
9-Anthrylmethyl car-bamate
CID 21930901
naphthalen-1-ylmethyl N-methylcarbamate
CID 23548416

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl N-methylcarbamate?
The IUPAC name of anthracen-9-ylmethyl N-methylcarbamate (CID 90378707) is anthracen-9-ylmethyl N-methylcarbamate.
What is the SMILES notation for anthracen-9-ylmethyl N-methylcarbamate?
The canonical SMILES for anthracen-9-ylmethyl N-methylcarbamate is CNC(=O)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl N-methylcarbamate?
The InChIKey is AAYWAEYRQCMRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-18-17(19)20-11-16-14-8-4-2-6-12(14)10-13-7-3-5-9-15(13)16/h2-10H,11H2,1H3,(H,18,19).
What are the key properties of anthracen-9-ylmethyl N-methylcarbamate?
anthracen-9-ylmethyl N-methylcarbamate has a molecular weight of 265.31 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl N-methylcarbamate is sourced from PubChem (CID 90378707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).