tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate

C18H30N2O3 — CID 102794759

IUPACtert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
SMILESCCC(NCC(C)NC(=O)OC(C)(C)C)c1ccccc1OC
InChIInChI=1S/C18H30N2O3/c1-7-15(14-10-8-9-11-16(14)22-6)19-12-13(2)20-17(21)23-18(3,4)5/h8-11,13,15,19H,7,12H2,1-6H3,(H,20,21)
InChIKeyUVNWNBUBQQQBMC-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.65
Rot. Bonds7

About tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate

tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate (PubChem CID 102794759) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
PubChem CID102794759
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
SMILESCCC(NCC(C)NC(=O)OC(C)(C)C)c1ccccc1OC
InChIInChI=1S/C18H30N2O3/c1-7-15(14-10-8-9-11-16(14)22-6)19-12-13(2)20-17(21)23-18(3,4)5/h8-11,13,15,19H,7,12H2,1-6H3,(H,20,21)
InChIKeyUVNWNBUBQQQBMC-UHFFFAOYSA-N
XLogP3.65
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
CID 103388310
tert-butyl N-[1-[1-(2,4-dichlorophenyl)propylamino]propan-2-yl]carbamate
CID 107247740
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543
tert-butyl N-[(1R)-1-(2-hydroxyphenyl)propyl]carbamate
CID 52908303
1-[1-(2-methoxyphenyl)propylamino]propan-2-ol
CID 43776231
tert-butyl N-[1-(butan-2-ylamino)propan-2-yl]carbamate
CID 107247367
tert-butyl N-[(1R)-1-[2-(2-amino-2-oxoethoxy)phenyl]propyl]carbamate
CID 95336152
[2-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methoxybutanoate
CID 95772717
3-[1-(2-methoxyphenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103917225
ethyl (2S,3S)-3-hydroxy-3-(2-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 102261237
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate (CID 102794759) is tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate is CCC(NCC(C)NC(=O)OC(C)(C)C)c1ccccc1OC.
What is the InChIKey of tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate?
The InChIKey is UVNWNBUBQQQBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-15(14-10-8-9-11-16(14)22-6)19-12-13(2)20-17(21)23-18(3,4)5/h8-11,13,15,19H,7,12H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate?
tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate has a molecular weight of 322.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate is sourced from PubChem (CID 102794759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).