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

C19H30N2O2 — CID 103715367

IUPACtert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
SMILESCCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-5-14-7-6-8-17(13-14)20-15-9-11-16(12-10-15)21-18(22)23-19(2,3)4/h6-8,13,15-16,20H,5,9-12H2,1-4H3,(H,21,22)
InChIKeyWDLZLWHYVHSXCD-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.50
Rot. Bonds4

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

tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate (PubChem CID 103715367) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
PubChem CID103715367
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
SMILESCCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-5-14-7-6-8-17(13-14)20-15-9-11-16(12-10-15)21-18(22)23-19(2,3)4/h6-8,13,15-16,20H,5,9-12H2,1-4H3,(H,21,22)
InChIKeyWDLZLWHYVHSXCD-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
tert-butyl N-[4-(3-bromoanilino)cyclohexyl]carbamate
CID 103715349
tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
CID 113256335
tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[4-[3-[4-(trifluoromethyl)piperidin-1-yl]anilino]cyclohexyl]carbamate
CID 171775749
tert-butyl N-[3-(4-ethylanilino)cyclohexyl]carbamate
CID 103720022
tert-butyl N-[4-(2,6-dibromoanilino)cyclohexyl]carbamate
CID 107597180
ethyl 3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methylamino]benzoate
CID 156761076
N-cyclohexyl-3-ethylaniline
CID 11009024
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[4-[(3-fluorophenyl)methylamino]cyclohexyl]carbamate
CID 86277339

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate (CID 103715367) is tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate is CCc1cccc(NC2CCC(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate?
The InChIKey is WDLZLWHYVHSXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-14-7-6-8-17(13-14)20-15-9-11-16(12-10-15)21-18(22)23-19(2,3)4/h6-8,13,15-16,20H,5,9-12H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate?
tert-butyl N-[4-(3-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-[4-(3-ethylanilino)cyclohexyl]carbamate is sourced from PubChem (CID 103715367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).