tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate

C19H30N2O2 — CID 103720022

IUPACtert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
SMILESCCc1ccc(NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-5-14-9-11-15(12-10-14)20-16-7-6-8-17(13-16)21-18(22)23-19(2,3)4/h9-12,16-17,20H,5-8,13H2,1-4H3,(H,21,22)
InChIKeyKDKRFXUVDRQVOV-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.50
Rot. Bonds4

About tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate

tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate (PubChem CID 103720022) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
PubChem CID103720022
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
SMILESCCc1ccc(NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1
InChIInChI=1S/C19H30N2O2/c1-5-14-9-11-15(12-10-14)20-16-7-6-8-17(13-16)21-18(22)23-19(2,3)4/h9-12,16-17,20H,5-8,13H2,1-4H3,(H,21,22)
InChIKeyKDKRFXUVDRQVOV-UHFFFAOYSA-N
XLogP4.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate (CID 103720022) is tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate is CCc1ccc(NC2CCCC(NC(=O)OC(C)(C)C)C2)cc1.
What is the InChIKey of tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate?
The InChIKey is KDKRFXUVDRQVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-14-9-11-15(12-10-14)20-16-7-6-8-17(13-16)21-18(22)23-19(2,3)4/h9-12,16-17,20H,5-8,13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate?
tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate is sourced from PubChem (CID 103720022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).