anthracen-9-yl N,N-dicyclohexylcarbamate

C27H31NO2 — CID 118876176

IUPACanthracen-9-yl N,N-dicyclohexylcarbamate
SMILESO=C(Oc1c2ccccc2cc2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H31NO2/c29-27(28(22-13-3-1-4-14-22)23-15-5-2-6-16-23)30-26-24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26/h7-12,17-19,22-23H,1-6,13-16H2
InChIKeyNSHIJWDKVIGQDA-UHFFFAOYSA-N
MW401.55 g/mol
LogP7.46
Rot. Bonds3

About anthracen-9-yl N,N-dicyclohexylcarbamate

anthracen-9-yl N,N-dicyclohexylcarbamate (PubChem CID 118876176) has the molecular formula C27H31NO2 and a molecular weight of 401.55 g/mol. Its IUPAC name is anthracen-9-yl N,N-dicyclohexylcarbamate.

Molecular Properties

Compound Nameanthracen-9-yl N,N-dicyclohexylcarbamate
PubChem CID118876176
Molecular FormulaC27H31NO2
Molecular Weight401.55 g/mol
Exact Mass401.24
IUPAC Nameanthracen-9-yl N,N-dicyclohexylcarbamate
SMILESO=C(Oc1c2ccccc2cc2ccccc12)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H31NO2/c29-27(28(22-13-3-1-4-14-22)23-15-5-2-6-16-23)30-26-24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26/h7-12,17-19,22-23H,1-6,13-16H2
InChIKeyNSHIJWDKVIGQDA-UHFFFAOYSA-N
XLogP7.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 57.46
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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Related Compounds

2-Isopropylphenyl (2-(naphthalen-2-yl)ethyl)carbamate
CID 57330099
[3-(3-phenylphenyl)phenyl] N-cyclohexylcarbamate
CID 11222499
Naphthalen-1-ylmethylcarbamic Acid Biphenyl-3-yl Ester
CID 24881741
Naphthalen-2-ylmethylcarbamic acid biphenyl-3-yl ester
CID 24881742
naphthalen-1-yl N-cyclohexylcarbamate
CID 832886
Cyclohexyl-carbamic acid 6-ethyl-naphthalen-2-yl ester
CID 11098519
naphthalen-1-yl N-cyclopent-2-en-1-yl-N-methylcarbamate
CID 226445
Cyclohexyl-carbamic acid 3''''-benzyl-biphenyl-3-yl ester
CID 11372566
Carbamic acid, diethyl-, 1-naphthalenyl ester
CID 10824499
Ammonium, benzyldimethyl(2-hydroxy-1-naphthyl)methyl-, bromide, dimethylcarbamate (ester)
CID 48293
Piperidinium, N-(1-hydroxy-2-naphthyl)methyl-N-methyl-, bromide, dimethylcarbamate (ester)
CID 3051247
(3,5-diphenylphenyl) N-cyclohexylcarbamate
CID 44572265

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl N,N-dicyclohexylcarbamate?
The IUPAC name of anthracen-9-yl N,N-dicyclohexylcarbamate (CID 118876176) is anthracen-9-yl N,N-dicyclohexylcarbamate.
What is the SMILES notation for anthracen-9-yl N,N-dicyclohexylcarbamate?
The canonical SMILES for anthracen-9-yl N,N-dicyclohexylcarbamate is O=C(Oc1c2ccccc2cc2ccccc12)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of anthracen-9-yl N,N-dicyclohexylcarbamate?
The InChIKey is NSHIJWDKVIGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2/c29-27(28(22-13-3-1-4-14-22)23-15-5-2-6-16-23)30-26-24-17-9-7-11-20(24)19-21-12-8-10-18-25(21)26/h7-12,17-19,22-23H,1-6,13-16H2.
What are the key properties of anthracen-9-yl N,N-dicyclohexylcarbamate?
anthracen-9-yl N,N-dicyclohexylcarbamate has a molecular weight of 401.55 g/mol, XLogP of 7.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl N,N-dicyclohexylcarbamate is sourced from PubChem (CID 118876176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).