[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate

C16H22N2O2 — CID 175562160

IUPAC[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate
SMILESC=Cc1ccc(NC2CCC(OC(N)=O)CC2)cc1C
InChIInChI=1S/C16H22N2O2/c1-3-12-4-5-14(10-11(12)2)18-13-6-8-15(9-7-13)20-16(17)19/h3-5,10,13,15,18H,1,6-9H2,2H3,(H2,17,19)
InChIKeyYZWDUZXVSWYEHE-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.46
Rot. Bonds4

About [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate

[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate (PubChem CID 175562160) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate
PubChem CID175562160
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate
SMILESC=Cc1ccc(NC2CCC(OC(N)=O)CC2)cc1C
InChIInChI=1S/C16H22N2O2/c1-3-12-4-5-14(10-11(12)2)18-13-6-8-15(9-7-13)20-16(17)19/h3-5,10,13,15,18H,1,6-9H2,2H3,(H2,17,19)
InChIKeyYZWDUZXVSWYEHE-UHFFFAOYSA-N
XLogP3.46
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate?
The IUPAC name of [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate (CID 175562160) is [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate.
What is the SMILES notation for [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate?
The canonical SMILES for [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate is C=Cc1ccc(NC2CCC(OC(N)=O)CC2)cc1C.
What is the InChIKey of [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate?
The InChIKey is YZWDUZXVSWYEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-12-4-5-14(10-11(12)2)18-13-6-8-15(9-7-13)20-16(17)19/h3-5,10,13,15,18H,1,6-9H2,2H3,(H2,17,19).
What are the key properties of [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate?
[4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate has a molecular weight of 274.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-ethenyl-3-methylanilino)cyclohexyl] carbamate is sourced from PubChem (CID 175562160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).