tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate

C18H30N2O2 — CID 107253966

IUPACtert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NCCc1ccccc1
InChIInChI=1S/C18H30N2O2/c1-14(2)16(13-20-17(21)22-18(3,4)5)19-12-11-15-9-7-6-8-10-15/h6-10,14,16,19H,11-13H2,1-5H3,(H,20,21)
InChIKeyQJLIABHSXVLWOC-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.37
Rot. Bonds7

About tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate

tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate (PubChem CID 107253966) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
PubChem CID107253966
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NCCc1ccccc1
InChIInChI=1S/C18H30N2O2/c1-14(2)16(13-20-17(21)22-18(3,4)5)19-12-11-15-9-7-6-8-10-15/h6-10,14,16,19H,11-13H2,1-5H3,(H,20,21)
InChIKeyQJLIABHSXVLWOC-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
tert-butyl N-[(2R)-3-methyl-1-[(2-phenylacetyl)amino]butan-2-yl]carbamate
CID 86611436
tert-butyl N-[2-[(3-bromophenyl)methylamino]-3-methylbutyl]carbamate
CID 107253972
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-(3-methyl-1-phenylbutan-2-yl)carbamate
CID 10491812
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[3-methyl-2-(1H-pyrrol-2-ylmethylamino)butyl]carbamate
CID 107254102
2-phenylethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11851409
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107254041

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate (CID 107253966) is tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)NCCc1ccccc1.
What is the InChIKey of tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate?
The InChIKey is QJLIABHSXVLWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)16(13-20-17(21)22-18(3,4)5)19-12-11-15-9-7-6-8-10-15/h6-10,14,16,19H,11-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate?
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate is sourced from PubChem (CID 107253966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).