anthracen-9-ylmethyl N-cyclohexylcarbamate

C22H23NO2 — CID 22978795

IUPACanthracen-9-ylmethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H23NO2/c24-22(23-18-10-2-1-3-11-18)25-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h4-9,12-14,18H,1-3,10-11,15H2,(H,23,24)
InChIKeyRIFRACLDEFJZOX-UHFFFAOYSA-N
MW333.43 g/mol
LogP5.55
Rot. Bonds3

About anthracen-9-ylmethyl N-cyclohexylcarbamate

anthracen-9-ylmethyl N-cyclohexylcarbamate (PubChem CID 22978795) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is anthracen-9-ylmethyl N-cyclohexylcarbamate.

Molecular Properties

Compound Nameanthracen-9-ylmethyl N-cyclohexylcarbamate
PubChem CID22978795
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Nameanthracen-9-ylmethyl N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C22H23NO2/c24-22(23-18-10-2-1-3-11-18)25-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h4-9,12-14,18H,1-3,10-11,15H2,(H,23,24)
InChIKeyRIFRACLDEFJZOX-UHFFFAOYSA-N
XLogP5.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.43
LogP ≤ 55.55
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

benzyl N-[(2S)-1-(cyanomethylamino)-3-naphthalen-2-yl-1-oxopropan-2-yl]carbamate
CID 11494775
naphthalen-1-ylmethyl N-cyclohexylcarbamate
CID 22978777
(4-phenylphenyl)methyl N-cyclohexylcarbamate
CID 22978794
Cbz-D-2-Naphthylalanine
CID 7018899
1-[3-(trifluoromethyl)phenyl]prop-2-enyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 134843457
benzyl N-(3-bicyclo[3.3.1]non-6-enyl)carbamate
CID 66772107
Benzyl (7-methylene-bicyclo[3.3.1]non-3-yl)carbamate
CID 86087222
[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-2-naphthalen-1-yl-ethyl]-carbamic acid benzyl ester
CID 44351795
1-(3,4-Dimethylphenyl)-1-phenyl-2-propynyl cyclohexylcarbamate
CID 30362
[(1R)-2,2,2-trifluoro-1-[10-[(1R)-2,2,2-trifluoro-1-[[(1S)-1-phenylethyl]carbamoyloxy]ethyl]anthracen-9-yl]ethyl] N-[(1S)-1-phenylethyl]carbamate
CID 11125233
[(1R)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate
CID 134880379
[(1S)-2,2,2-trifluoro-1-naphthalen-1-ylethyl] N-[(1R)-1-phenylethyl]carbamate
CID 134880380

Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethyl N-cyclohexylcarbamate?
The IUPAC name of anthracen-9-ylmethyl N-cyclohexylcarbamate (CID 22978795) is anthracen-9-ylmethyl N-cyclohexylcarbamate.
What is the SMILES notation for anthracen-9-ylmethyl N-cyclohexylcarbamate?
The canonical SMILES for anthracen-9-ylmethyl N-cyclohexylcarbamate is O=C(NC1CCCCC1)OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethyl N-cyclohexylcarbamate?
The InChIKey is RIFRACLDEFJZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c24-22(23-18-10-2-1-3-11-18)25-15-21-19-12-6-4-8-16(19)14-17-9-5-7-13-20(17)21/h4-9,12-14,18H,1-3,10-11,15H2,(H,23,24).
What are the key properties of anthracen-9-ylmethyl N-cyclohexylcarbamate?
anthracen-9-ylmethyl N-cyclohexylcarbamate has a molecular weight of 333.43 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethyl N-cyclohexylcarbamate is sourced from PubChem (CID 22978795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).