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

C17H26N2O3 — CID 107240362

IUPACtert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NCC1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-15-7-5-4-6-14(15)18-12-13-8-10-21-11-9-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)
InChIKeyDSUFXYNBRDXMHQ-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.87
Rot. Bonds4

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

tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate (PubChem CID 107240362) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
PubChem CID107240362
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NCC1CCOCC1
InChIInChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-15-7-5-4-6-14(15)18-12-13-8-10-21-11-9-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)
InChIKeyDSUFXYNBRDXMHQ-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
CID 107240161
tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
CID 107240302
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[2-[(5-methylfuran-2-yl)methylamino]phenyl]carbamate
CID 107240074
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
CID 107247276
2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
N-(oxan-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55209485
2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
CID 62385049

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate (CID 107240362) is tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NCC1CCOCC1.
What is the InChIKey of tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate?
The InChIKey is DSUFXYNBRDXMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-17(2,3)22-16(20)19-15-7-5-4-6-14(15)18-12-13-8-10-21-11-9-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate?
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 3.87, 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-ylmethylamino)phenyl]carbamate is sourced from PubChem (CID 107240362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).