tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate

C16H26N2O3 — CID 103936425

IUPACtert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
SMILESCOCC(C)Nc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(11-20-5)18-14-8-6-7-13(9-14)10-17-15(19)21-16(2,3)4/h6-9,12,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyOFJDLWHFHJZDEC-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.16
Rot. Bonds6

About tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate

tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate (PubChem CID 103936425) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
PubChem CID103936425
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Nametert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
SMILESCOCC(C)Nc1cccc(CNC(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H26N2O3/c1-12(11-20-5)18-14-8-6-7-13(9-14)10-17-15(19)21-16(2,3)4/h6-9,12,18H,10-11H2,1-5H3,(H,17,19)
InChIKeyOFJDLWHFHJZDEC-UHFFFAOYSA-N
XLogP3.16
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
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tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]-N-methylcarbamate
CID 103936292
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
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[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
tert-butyl N-[2-[3-[(dimethylamino)methyl]anilino]propyl]carbamate
CID 103388229
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[[3-(1-pyridin-3-ylethylamino)phenyl]methyl]carbamate
CID 113354942
tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
CID 103936431
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate (CID 103936425) is tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate is COCC(C)Nc1cccc(CNC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate?
The InChIKey is OFJDLWHFHJZDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-12(11-20-5)18-14-8-6-7-13(9-14)10-17-15(19)21-16(2,3)4/h6-9,12,18H,10-11H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate?
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate has a molecular weight of 294.39 g/mol, XLogP of 3.16, 6 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-methoxypropan-2-ylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 103936425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).