tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate

C16H24N2O3 — CID 107239965

IUPACtert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
SMILESCC1(CNc2cccc(NC(=O)OC(C)(C)C)c2)COC1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-13-7-5-6-12(8-13)17-9-16(4)10-20-11-16/h5-8,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyQYVSFMYYLHXNES-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.48
Rot. Bonds4

About tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate

tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate (PubChem CID 107239965) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
PubChem CID107239965
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
SMILESCC1(CNc2cccc(NC(=O)OC(C)(C)C)c2)COC1
InChIInChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-13-7-5-6-12(8-13)17-9-16(4)10-20-11-16/h5-8,17H,9-11H2,1-4H3,(H,18,19)
InChIKeyQYVSFMYYLHXNES-UHFFFAOYSA-N
XLogP3.48
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[4-methoxy-2-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239723
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]carbamate
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tert-butyl N-(3-sulfanylphenyl)carbamate
CID 11436060
tert-butyl N-[3-[(2-aminophenyl)methylamino]phenyl]carbamate
CID 107239870
tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
CID 107239998
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate (CID 107239965) is tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate is CC1(CNc2cccc(NC(=O)OC(C)(C)C)c2)COC1.
What is the InChIKey of tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
The InChIKey is QYVSFMYYLHXNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-15(2,3)21-14(19)18-13-7-5-6-12(8-13)17-9-16(4)10-20-11-16/h5-8,17H,9-11H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate?
tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate is sourced from PubChem (CID 107239965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).