tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate

C19H32N2O2 — CID 107251008

IUPACtert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)CCc1ccccc1
InChIInChI=1S/C19H32N2O2/c1-6-17(14-20-18(22)23-19(3,4)5)21-15(2)12-13-16-10-8-7-9-11-16/h7-11,15,17,21H,6,12-14H2,1-5H3,(H,20,22)
InChIKeyHZPDCJFRFRMMBV-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.90
Rot. Bonds8

About tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate

tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate (PubChem CID 107251008) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
PubChem CID107251008
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Nametert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
SMILESCCC(CNC(=O)OC(C)(C)C)NC(C)CCc1ccccc1
InChIInChI=1S/C19H32N2O2/c1-6-17(14-20-18(22)23-19(3,4)5)21-15(2)12-13-16-10-8-7-9-11-16/h7-11,15,17,21H,6,12-14H2,1-5H3,(H,20,22)
InChIKeyHZPDCJFRFRMMBV-UHFFFAOYSA-N
XLogP3.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(2-phenylethylamino)butan-2-yl]carbamate
CID 107250176
tert-butyl N-[2-(5-hydroxypentan-2-ylamino)-3-phenylpropyl]carbamate
CID 136561418
tert-butyl N-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butyl]amino]pentan-2-yl]carbamate
CID 130376681
tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate
CID 130376707
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[4-phenyl-2-(2-phenylethyl)butanoyl]amino]pentan-2-yl]carbamate
CID 163992812
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate (CID 107251008) is tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate is CCC(CNC(=O)OC(C)(C)C)NC(C)CCc1ccccc1.
What is the InChIKey of tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate?
The InChIKey is HZPDCJFRFRMMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-6-17(14-20-18(22)23-19(3,4)5)21-15(2)12-13-16-10-8-7-9-11-16/h7-11,15,17,21H,6,12-14H2,1-5H3,(H,20,22).
What are the key properties of tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate?
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate has a molecular weight of 320.48 g/mol, XLogP of 3.90, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate is sourced from PubChem (CID 107251008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).