tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate

C17H28N2O3 — CID 103390477

IUPACtert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
SMILESCOc1ccc([C@H](C)NC(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-12(11-18-16(20)22-17(3,4)5)19-13(2)14-7-9-15(21-6)10-8-14/h7-10,12-13,19H,11H2,1-6H3,(H,18,20)/t12?,13-/m0/s1
InChIKeyVXOPTSWHHXOQKB-ABLWVSNPSA-N
MW308.42 g/mol
LogP3.26
Rot. Bonds6

About tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate

tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate (PubChem CID 103390477) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
PubChem CID103390477
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Nametert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
SMILESCOc1ccc([C@H](C)NC(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C17H28N2O3/c1-12(11-18-16(20)22-17(3,4)5)19-13(2)14-7-9-15(21-6)10-8-14/h7-10,12-13,19H,11H2,1-6H3,(H,18,20)/t12?,13-/m0/s1
InChIKeyVXOPTSWHHXOQKB-ABLWVSNPSA-N
XLogP3.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[2-(4-methoxyphenyl)-3-oxopropyl]carbamate
CID 84730391
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate (CID 103390477) is tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate is COc1ccc([C@H](C)NC(C)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate?
The InChIKey is VXOPTSWHHXOQKB-ABLWVSNPSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12(11-18-16(20)22-17(3,4)5)19-13(2)14-7-9-15(21-6)10-8-14/h7-10,12-13,19H,11H2,1-6H3,(H,18,20)/t12?,13-/m0/s1.
What are the key properties of tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate?
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate has a molecular weight of 308.42 g/mol, XLogP of 3.26, 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-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate is sourced from PubChem (CID 103390477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).