tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate

C19H30N2O3 — CID 114266808

IUPACtert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate
SMILESCCC(Nc1ccccc1CNC(=O)OC(C)(C)C)C1CCOC1
InChIInChI=1S/C19H30N2O3/c1-5-16(15-10-11-23-13-15)21-17-9-7-6-8-14(17)12-20-18(22)24-19(2,3)4/h6-9,15-16,21H,5,10-13H2,1-4H3,(H,20,22)
InChIKeyXJPDOSNLTAHXAD-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.94
Rot. Bonds6

About tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate

tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate (PubChem CID 114266808) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate
PubChem CID114266808
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate
SMILESCCC(Nc1ccccc1CNC(=O)OC(C)(C)C)C1CCOC1
InChIInChI=1S/C19H30N2O3/c1-5-16(15-10-11-23-13-15)21-17-9-7-6-8-14(17)12-20-18(22)24-19(2,3)4/h6-9,15-16,21H,5,10-13H2,1-4H3,(H,20,22)
InChIKeyXJPDOSNLTAHXAD-UHFFFAOYSA-N
XLogP3.94
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[2-(oxan-4-ylamino)phenyl]methyl]carbamate
CID 107247276
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
CID 103936437
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-(heptylamino)phenyl]methyl]carbamate
CID 107247253
tert-butyl N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]carbamate
CID 107248664
tert-butyl N-[[2-(prop-2-ynylamino)phenyl]methyl]carbamate
CID 107247229
tert-butyl N-[[2-(ethylaminomethyl)phenyl]methyl]carbamate
CID 107248645
tert-butyl N-[2-oxo-2-[2-[(oxolane-2-carbonylamino)methyl]anilino]ethyl]carbamate
CID 108918059
tert-butyl N-[[2-(prop-2-enylamino)phenyl]methyl]carbamate
CID 101342839
tert-butyl N-[[2-(acetamidomethyl)phenyl]methyl]carbamate
CID 576438

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate (CID 114266808) is tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate is CCC(Nc1ccccc1CNC(=O)OC(C)(C)C)C1CCOC1.
What is the InChIKey of tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate?
The InChIKey is XJPDOSNLTAHXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-5-16(15-10-11-23-13-15)21-17-9-7-6-8-14(17)12-20-18(22)24-19(2,3)4/h6-9,15-16,21H,5,10-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate?
tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[1-(oxolan-3-yl)propylamino]phenyl]methyl]carbamate is sourced from PubChem (CID 114266808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).