tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate

C18H28N2O3 — CID 107850172

IUPACtert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
SMILESCOc1cccc(CCNC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-15-11-14(12-15)19-9-8-13-6-5-7-16(10-13)22-4/h5-7,10,14-15,19H,8-9,11-12H2,1-4H3,(H,20,21)
InChIKeyBJYUNLCRTASPFL-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.88
Rot. Bonds6

About tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate

tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate (PubChem CID 107850172) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
PubChem CID107850172
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate
SMILESCOc1cccc(CCNC2CC(NC(=O)OC(C)(C)C)C2)c1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-15-11-14(12-15)19-9-8-13-6-5-7-16(10-13)22-4/h5-7,10,14-15,19H,8-9,11-12H2,1-4H3,(H,20,21)
InChIKeyBJYUNLCRTASPFL-UHFFFAOYSA-N
XLogP2.88
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R,5S)-5-amino-1-[2-(3-methoxyphenyl)ethyl]piperidin-3-yl]carbamate
CID 118550603
tert-butyl N-[3-[(4-methoxyphenyl)methylamino]cyclobutyl]carbamate
CID 103759298
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
tert-butyl N-[3-[(3-bromophenyl)methylamino]cyclobutyl]carbamate
CID 80560677
N-[2-(3-methoxyphenyl)ethyl]-2,6-dimethyloxan-4-amine
CID 103920471
N-[2-(3-methoxyphenyl)ethyl]-5-methylthiolan-3-amine
CID 107850113
N-[2-(3-methoxyphenyl)ethyl]-4,4-dimethylcyclohexan-1-amine
CID 103698593
N-[2-(3-methoxyphenyl)ethyl]-4-methylcyclohexan-1-amine
CID 103698595
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]cyclobutyl]carbamate
CID 107241414
tert-butyl N-[3-[2-(5-chlorothiophen-2-yl)ethylamino]cyclobutyl]carbamate
CID 106041710
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
tert-butyl N-[3-(3-phenylbutylamino)cyclobutyl]carbamate
CID 103759634

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate (CID 107850172) is tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate is COc1cccc(CCNC2CC(NC(=O)OC(C)(C)C)C2)c1.
What is the InChIKey of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate?
The InChIKey is BJYUNLCRTASPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-15-11-14(12-15)19-9-8-13-6-5-7-16(10-13)22-4/h5-7,10,14-15,19H,8-9,11-12H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate?
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]cyclobutyl]carbamate is sourced from PubChem (CID 107850172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).