cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate

C20H23NO2 — CID 53348145

IUPACcyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate
SMILESCc1cccc(-c2cccc(NC(=O)OC3CCCCC3)c2)c1
InChIInChI=1S/C20H23NO2/c1-15-7-5-8-16(13-15)17-9-6-10-18(14-17)21-20(22)23-19-11-3-2-4-12-19/h5-10,13-14,19H,2-4,11-12H2,1H3,(H,21,22)
InChIKeySJUNDTXBKQXXBJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.54
Rot. Bonds3

About cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate

cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate (PubChem CID 53348145) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate
PubChem CID53348145
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Namecyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate
SMILESCc1cccc(-c2cccc(NC(=O)OC3CCCCC3)c2)c1
InChIInChI=1S/C20H23NO2/c1-15-7-5-8-16(13-15)17-9-6-10-18(14-17)21-20(22)23-19-11-3-2-4-12-19/h5-10,13-14,19H,2-4,11-12H2,1H3,(H,21,22)
InChIKeySJUNDTXBKQXXBJ-UHFFFAOYSA-N
XLogP5.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.54
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 cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate?
The IUPAC name of cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate (CID 53348145) is cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate.
What is the SMILES notation for cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate?
The canonical SMILES for cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate is Cc1cccc(-c2cccc(NC(=O)OC3CCCCC3)c2)c1.
What is the InChIKey of cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate?
The InChIKey is SJUNDTXBKQXXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-15-7-5-8-16(13-15)17-9-6-10-18(14-17)21-20(22)23-19-11-3-2-4-12-19/h5-10,13-14,19H,2-4,11-12H2,1H3,(H,21,22).
What are the key properties of cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate?
cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[3-(3-methylphenyl)phenyl]carbamate is sourced from PubChem (CID 53348145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).