tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate

C18H30N2O3 — CID 107244699

IUPACtert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
SMILESCOC(C)(C)CCNc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-17(2,3)23-16(21)20-13-14-8-7-9-15(12-14)19-11-10-18(4,5)22-6/h7-9,12,19H,10-11,13H2,1-6H3,(H,20,21)
InChIKeyIXFANLXNJXEVLF-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.94
Rot. Bonds7

About tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate

tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate (PubChem CID 107244699) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
PubChem CID107244699
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
SMILESCOC(C)(C)CCNc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C18H30N2O3/c1-17(2,3)23-16(21)20-13-14-8-7-9-15(12-14)19-11-10-18(4,5)22-6/h7-9,12,19H,10-11,13H2,1-6H3,(H,20,21)
InChIKeyIXFANLXNJXEVLF-UHFFFAOYSA-N
XLogP3.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[3-(3-chloroanilino)phenyl]methyl]carbamate
CID 110452782
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
3-[(3-methoxy-3-methylbutyl)amino]benzoic acid
CID 106675116
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
CID 166686967
tert-butyl N-[[3-[(3-bromothiophen-2-yl)methylamino]phenyl]methyl]carbamate
CID 104756662
tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
tert-butyl N-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 95302565

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate (CID 107244699) is tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate is COC(C)(C)CCNc1cccc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate?
The InChIKey is IXFANLXNJXEVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-17(2,3)23-16(21)20-13-14-8-7-9-15(12-14)19-11-10-18(4,5)22-6/h7-9,12,19H,10-11,13H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate?
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.94, 7 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-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 107244699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).