tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate

C19H30N2O2 — CID 107243282

IUPACtert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
SMILESCc1cccc(C(C)NCC2(NC(=O)OC(C)(C)C)CCC2)c1
InChIInChI=1S/C19H30N2O2/c1-14-8-6-9-16(12-14)15(2)20-13-19(10-7-11-19)21-17(22)23-18(3,4)5/h6,8-9,12,15,20H,7,10-11,13H2,1-5H3,(H,21,22)
InChIKeyJUHQFRLYBZFDAE-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate

tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate (PubChem CID 107243282) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
PubChem CID107243282
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate
SMILESCc1cccc(C(C)NCC2(NC(=O)OC(C)(C)C)CCC2)c1
InChIInChI=1S/C19H30N2O2/c1-14-8-6-9-16(12-14)15(2)20-13-19(10-7-11-19)21-17(22)23-18(3,4)5/h6,8-9,12,15,20H,7,10-11,13H2,1-5H3,(H,21,22)
InChIKeyJUHQFRLYBZFDAE-UHFFFAOYSA-N
XLogP4.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[[1-(4-fluoro-3-methoxyphenyl)ethylamino]methyl]cyclobutyl]carbamate
CID 113424463
tert-butyl 2-[[(1S)-1-(3-methylphenyl)ethyl]amino]acetate
CID 81361338
tert-butyl N-[1-[[1-(3-acetamidophenyl)ethylcarbamoylamino]methyl]cycloheptyl]carbamate
CID 47048330
tert-butyl N-[(E)-4-[1-(3-methylphenyl)ethylamino]but-2-enyl]carbamate
CID 107253277
tert-butyl N-[3-methyl-1-[1-(3-methylphenyl)ethylamino]butan-2-yl]carbamate
CID 103711119
tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243378
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-[[[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]methyl]cycloheptyl]carbamate
CID 32611176
tert-butyl N-[2-[1-(3-methylphenyl)ethylamino]butyl]carbamate
CID 107251337
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243328
tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate (CID 107243282) is tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate is Cc1cccc(C(C)NCC2(NC(=O)OC(C)(C)C)CCC2)c1.
What is the InChIKey of tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate?
The InChIKey is JUHQFRLYBZFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-8-6-9-16(12-14)15(2)20-13-19(10-7-11-19)21-17(22)23-18(3,4)5/h6,8-9,12,15,20H,7,10-11,13H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[[1-(3-methylphenyl)ethylamino]methyl]cyclobutyl]carbamate is sourced from PubChem (CID 107243282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).