cyclooctyl N-(3-phenylphenyl)carbamate

C21H25NO2 — CID 57393886

IUPACcyclooctyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCCCC1
InChIInChI=1S/C21H25NO2/c23-21(24-20-14-7-2-1-3-8-15-20)22-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,1-3,7-8,14-15H2,(H,22,23)
InChIKeyWDTGCAOYZRXUEB-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.01
Rot. Bonds3

About cyclooctyl N-(3-phenylphenyl)carbamate

cyclooctyl N-(3-phenylphenyl)carbamate (PubChem CID 57393886) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is cyclooctyl N-(3-phenylphenyl)carbamate.

Molecular Properties

Compound Namecyclooctyl N-(3-phenylphenyl)carbamate
PubChem CID57393886
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Namecyclooctyl N-(3-phenylphenyl)carbamate
SMILESO=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCCCC1
InChIInChI=1S/C21H25NO2/c23-21(24-20-14-7-2-1-3-8-15-20)22-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,1-3,7-8,14-15H2,(H,22,23)
InChIKeyWDTGCAOYZRXUEB-UHFFFAOYSA-N
XLogP6.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Urb602
CID 10979337
Phenethyl phenylcarbamate
CID 347208
C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
CID 82348
Carbamic acid, N-(3-isocyanatomethylphenyl)-, 2-ethylhexyl ester
CID 93998
3-Phenylpropyl phenylcarbamate
CID 2254838
Isopropyl N-(1-naphthyl)carbamate
CID 230323
Butyl N-1-naphthalenylcarbamate
CID 4230695
4,4'-Methylenebis(isopropyl N-phenylcarbamate)
CID 4258206
Cyclohexyl N-(1-naphthyl)carbamate
CID 3492064
Cyclohexyl biphenyl-4-ylcarbamate
CID 45272494
propan-2-yl N-[3-methyl-4-[2-methyl-4-(propan-2-yloxycarbonylamino)phenyl]phenyl]carbamate
CID 245561
Octan-2-yl naphthalen-1-ylcarbamate
CID 347641

Frequently Asked Questions

What is the IUPAC name of cyclooctyl N-(3-phenylphenyl)carbamate?
The IUPAC name of cyclooctyl N-(3-phenylphenyl)carbamate (CID 57393886) is cyclooctyl N-(3-phenylphenyl)carbamate.
What is the SMILES notation for cyclooctyl N-(3-phenylphenyl)carbamate?
The canonical SMILES for cyclooctyl N-(3-phenylphenyl)carbamate is O=C(Nc1cccc(-c2ccccc2)c1)OC1CCCCCCC1.
What is the InChIKey of cyclooctyl N-(3-phenylphenyl)carbamate?
The InChIKey is WDTGCAOYZRXUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(24-20-14-7-2-1-3-8-15-20)22-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,1-3,7-8,14-15H2,(H,22,23).
What are the key properties of cyclooctyl N-(3-phenylphenyl)carbamate?
cyclooctyl N-(3-phenylphenyl)carbamate has a molecular weight of 323.44 g/mol, XLogP of 6.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl N-(3-phenylphenyl)carbamate is sourced from PubChem (CID 57393886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).