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

C18H30N2O3 — CID 103388310

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

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

tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate (PubChem CID 103388310) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
PubChem CID103388310
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate
SMILESCCC(NC(C)CNC(=O)OC(C)(C)C)c1ccccc1OC
InChIInChI=1S/C18H30N2O3/c1-7-15(14-10-8-9-11-16(14)22-6)20-13(2)12-19-17(21)23-18(3,4)5/h8-11,13,15,20H,7,12H2,1-6H3,(H,19,21)
InChIKeyKUQOUUXNEUZRRR-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-[1-[1-(2-methoxyphenyl)propylamino]propan-2-yl]carbamate
CID 102794759
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
3-[1-(2-methoxyphenyl)propylamino]-2-methylbutan-2-ol
CID 65337762
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]propyl]carbamate
CID 103388164
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482
3-(2-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 44630853
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[1-(2-methoxyphenyl)ethyl]carbamate
CID 53432543

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate (CID 103388310) is tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate is CCC(NC(C)CNC(=O)OC(C)(C)C)c1ccccc1OC.
What is the InChIKey of tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate?
The InChIKey is KUQOUUXNEUZRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-15(14-10-8-9-11-16(14)22-6)20-13(2)12-19-17(21)23-18(3,4)5/h8-11,13,15,20H,7,12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate?
tert-butyl N-[2-[1-(2-methoxyphenyl)propylamino]propyl]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-[2-[1-(2-methoxyphenyl)propylamino]propyl]carbamate is sourced from PubChem (CID 103388310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).