tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate

C18H30N2O3 — CID 107242385

IUPACtert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
SMILESCC(Nc1ccccc1CN(C)C(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C18H30N2O3/c1-13(18(5,6)22)19-15-11-9-8-10-14(15)12-20(7)16(21)23-17(2,3)4/h8-11,13,19,22H,12H2,1-7H3
InChIKeyMDYOCJMERSODOP-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.62
Rot. Bonds5

About tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate (PubChem CID 107242385) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
PubChem CID107242385
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate
SMILESCC(Nc1ccccc1CN(C)C(=O)OC(C)(C)C)C(C)(C)O
InChIInChI=1S/C18H30N2O3/c1-13(18(5,6)22)19-15-11-9-8-10-14(15)12-20(7)16(21)23-17(2,3)4/h8-11,13,19,22H,12H2,1-7H3
InChIKeyMDYOCJMERSODOP-UHFFFAOYSA-N
XLogP3.62
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]anilino]propanoic acid
CID 107242371
tert-butyl N-[[2-(3-methoxybutan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936279
tert-butyl N-methyl-N-[[2-(4-methylpentanoylamino)phenyl]methyl]carbamate
CID 60595393
tert-butyl N-[[2-(2,4-dimethylpentylamino)phenyl]methyl]-N-methylcarbamate
CID 114200705
tert-butyl N-[[2-(2-ethylbutylamino)phenyl]methyl]-N-methylcarbamate
CID 107242386
3-[2-(hydroxymethyl)anilino]-2-methylbutan-2-ol
CID 65337723
tert-butyl N-methyl-N-[[2-(1,3-thiazol-5-ylmethylamino)phenyl]methyl]carbamate
CID 103818744
tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
CID 103892825
tert-butyl N-ethyl-N-[[2-(pentan-2-ylamino)phenyl]methyl]carbamate
CID 107242570
2-[acetyl-[[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]phenyl]methyl]amino]acetic acid
CID 158273995
tert-butyl N-methyl-N-[[2-[[2-(9-oxoacridin-10-yl)acetyl]amino]phenyl]methyl]carbamate
CID 47082214
tert-butyl N-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]carbamate
CID 103892836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate (CID 107242385) is tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate is CC(Nc1ccccc1CN(C)C(=O)OC(C)(C)C)C(C)(C)O.
What is the InChIKey of tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate?
The InChIKey is MDYOCJMERSODOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-13(18(5,6)22)19-15-11-9-8-10-14(15)12-20(7)16(21)23-17(2,3)4/h8-11,13,19,22H,12H2,1-7H3.
What are the key properties of tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate has a molecular weight of 322.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 107242385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).