tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate

C18H28N2O2 — CID 103759544

IUPACtert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
SMILESCCc1cccc(C)c1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-6-13-9-7-8-12(2)16(13)19-14-10-15(11-14)20-17(21)22-18(3,4)5/h7-9,14-15,19H,6,10-11H2,1-5H3,(H,20,21)
InChIKeyOZNQRVWADAXFCK-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.03
Rot. Bonds4

About tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate

tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate (PubChem CID 103759544) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
PubChem CID103759544
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate
SMILESCCc1cccc(C)c1NC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O2/c1-6-13-9-7-8-12(2)16(13)19-14-10-15(11-14)20-17(21)22-18(3,4)5/h7-9,14-15,19H,6,10-11H2,1-5H3,(H,20,21)
InChIKeyOZNQRVWADAXFCK-UHFFFAOYSA-N
XLogP4.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(2,6-dibromoanilino)cyclobutyl]carbamate
CID 107597184
tert-butyl N-[3-(2-bromo-6-methoxyanilino)cyclobutyl]carbamate
CID 178183775
tert-butyl N-[3-[(3-bromo-2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 107239083
tert-butyl N-[3-(2,4,6-trichloroanilino)cyclobutyl]carbamate
CID 103759373
tert-butyl N-[3-(2,4,6-tribromoanilino)cyclobutyl]carbamate
CID 103759372
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 63448687
tert-butyl N-[3-(3-propoxyanilino)cyclobutyl]carbamate
CID 103759438
N-cyclopentyl-2-ethyl-6-methylaniline
CID 60924694
tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331
N-(4-tert-butylcyclohexyl)-2-ethyl-6-methylaniline
CID 63448569
tert-butyl N-[3-(5-fluoro-2-methylanilino)cyclobutyl]carbamate
CID 80559248
tert-butyl N-[3-[3-(diethylaminomethyl)anilino]cyclobutyl]carbamate
CID 113256335

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate (CID 103759544) is tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate is CCc1cccc(C)c1NC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate?
The InChIKey is OZNQRVWADAXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-13-9-7-8-12(2)16(13)19-14-10-15(11-14)20-17(21)22-18(3,4)5/h7-9,14-15,19H,6,10-11H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate?
tert-butyl N-[3-(2-ethyl-6-methylanilino)cyclobutyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 4.03, 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-(2-ethyl-6-methylanilino)cyclobutyl]carbamate is sourced from PubChem (CID 103759544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).