tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate

C17H26N2O3 — CID 107247276

IUPACtert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1NC1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-12-13-6-4-5-7-15(13)19-14-8-10-21-11-9-14/h4-7,14,19H,8-12H2,1-3H3,(H,18,20)
InChIKeyNVXZNUGPAWNFBW-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.30
Rot. Bonds4

About tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate

tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate (PubChem CID 107247276) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
PubChem CID107247276
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1NC1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-12-13-6-4-5-7-15(13)19-14-8-10-21-11-9-14/h4-7,14,19H,8-12H2,1-3H3,(H,18,20)
InChIKeyNVXZNUGPAWNFBW-UHFFFAOYSA-N
XLogP3.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate
CID 114266808
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-methyl-N-[[2-(oxolan-3-ylamino)phenyl]methyl]carbamate
CID 103892825
tert-butyl N-[[3-(oxepan-4-ylamino)phenyl]methyl]carbamate
CID 103936436
tert-butyl N-[[2-(prop-2-ynylamino)phenyl]methyl]carbamate
CID 107247229
tert-butyl N-[[2-(heptylamino)phenyl]methyl]carbamate
CID 107247253
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
tert-butyl N-[[2-[(azetidin-3-ylamino)methyl]phenyl]methyl]carbamate
CID 107248667
tert-butyl N-[[2-(3-methylbutylamino)phenyl]methyl]carbamate
CID 107247162
tert-butyl N-[[2-(pentylamino)phenyl]methyl]carbamate
CID 107247163
tert-butyl N-[[2-(prop-2-enylamino)phenyl]methyl]carbamate
CID 101342839

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate (CID 107247276) is tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1NC1CCOCC1.
What is the InChIKey of tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate?
The InChIKey is NVXZNUGPAWNFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)18-12-13-6-4-5-7-15(13)19-14-8-10-21-11-9-14/h4-7,14,19H,8-12H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate?
tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107247276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).