tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate

C18H28N2O3 — CID 103936437

IUPACtert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
SMILESCC(Nc1cccc(CNC(=O)OC(C)(C)C)c1)C1CCOC1
InChIInChI=1S/C18H28N2O3/c1-13(15-8-9-22-12-15)20-16-7-5-6-14(10-16)11-19-17(21)23-18(2,3)4/h5-7,10,13,15,20H,8-9,11-12H2,1-4H3,(H,19,21)
InChIKeyQUPYUDONDQOCQZ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.55
Rot. Bonds5

About tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate

tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate (PubChem CID 103936437) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
PubChem CID103936437
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
SMILESCC(Nc1cccc(CNC(=O)OC(C)(C)C)c1)C1CCOC1
InChIInChI=1S/C18H28N2O3/c1-13(15-8-9-22-12-15)20-16-7-5-6-14(10-16)11-19-17(21)23-18(2,3)4/h5-7,10,13,15,20H,8-9,11-12H2,1-4H3,(H,19,21)
InChIKeyQUPYUDONDQOCQZ-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[[3-(oxepan-4-ylamino)phenyl]methyl]carbamate
CID 103936436
tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633
tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
CID 166686967
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177
tert-butyl N-[3-[[[(1R)-1-cyclopropylethyl]amino]methyl]phenyl]carbamate
CID 97307154

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate (CID 103936437) is tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate is CC(Nc1cccc(CNC(=O)OC(C)(C)C)c1)C1CCOC1.
What is the InChIKey of tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate?
The InChIKey is QUPYUDONDQOCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(15-8-9-22-12-15)20-16-7-5-6-14(10-16)11-19-17(21)23-18(2,3)4/h5-7,10,13,15,20H,8-9,11-12H2,1-4H3,(H,19,21).
What are the key properties of tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate?
tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 103936437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).