tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate

C18H30N2O3 — CID 103388764

IUPACtert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
SMILESCCOc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-7-22-16-10-8-15(9-11-16)14(3)20-13(2)12-19-17(21)23-18(4,5)6/h8-11,13-14,20H,7,12H2,1-6H3,(H,19,21)
InChIKeySRRSUZHBPSXBFO-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.65
Rot. Bonds7

About tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate

tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate (PubChem CID 103388764) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
PubChem CID103388764
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
SMILESCCOc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C18H30N2O3/c1-7-22-16-10-8-15(9-11-16)14(3)20-13(2)12-19-17(21)23-18(4,5)6/h8-11,13-14,20H,7,12H2,1-6H3,(H,19,21)
InChIKeySRRSUZHBPSXBFO-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-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
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-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl N-[2-[1-(5-methylfuran-2-yl)ethylamino]propyl]carbamate
CID 103388158
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-[2-[[(1R)-1-(4-ethoxyphenyl)ethyl]carbamoyl]phenyl]ethyl]carbamate
CID 167890398
tert-butyl N-[2-[1-(4-fluorophenyl)propylamino]propyl]carbamate
CID 107248141
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate (CID 103388764) is tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate is CCOc1ccc(C(C)NC(C)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate?
The InChIKey is SRRSUZHBPSXBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-7-22-16-10-8-15(9-11-16)14(3)20-13(2)12-19-17(21)23-18(4,5)6/h8-11,13-14,20H,7,12H2,1-6H3,(H,19,21).
What are the key properties of tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]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-(4-ethoxyphenyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 103388764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).