tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate

C26H38N2O2 — CID 130376707

IUPACtert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H38N2O2/c1-26(2,3)30-25(29)28-20-10-19-27-21-24(17-15-22-11-6-4-7-12-22)18-16-23-13-8-5-9-14-23/h4-9,11-14,24,27H,10,15-21H2,1-3H3,(H,28,29)
InChIKeyICFOCVNPXNXHNL-UHFFFAOYSA-N
MW410.60 g/mol
LogP5.37
Rot. Bonds12

About tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate

tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate (PubChem CID 130376707) has the molecular formula C26H38N2O2 and a molecular weight of 410.60 g/mol. Its IUPAC name is tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate
PubChem CID130376707
Molecular FormulaC26H38N2O2
Molecular Weight410.60 g/mol
Exact Mass410.29
IUPAC Nametert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCNCC(CCc1ccccc1)CCc1ccccc1
InChIInChI=1S/C26H38N2O2/c1-26(2,3)30-25(29)28-20-10-19-27-21-24(17-15-22-11-6-4-7-12-22)18-16-23-13-8-5-9-14-23/h4-9,11-14,24,27H,10,15-21H2,1-3H3,(H,28,29)
InChIKeyICFOCVNPXNXHNL-UHFFFAOYSA-N
XLogP5.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.60
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[6-(benzylamino)hexyl]carbamate
CID 10913810
methyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-4-phenylbutanoate
CID 156758863
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-(1-hydroxy-3-phenylpropoxy)ethyl]carbamate
CID 71219268
tert-butyl N-[3-(1,5-diphenylpentan-3-ylamino)-3-oxopropyl]carbamate
CID 130376749
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649
tert-butyl N-[3-[[N'-methyl-N-(2-phenylethyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111134350
tert-butyl N-[(2S)-1-(1,5-diphenylpentan-3-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 130376708

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate (CID 130376707) is tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate is CC(C)(C)OC(=O)NCCCNCC(CCc1ccccc1)CCc1ccccc1.
What is the InChIKey of tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate?
The InChIKey is ICFOCVNPXNXHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N2O2/c1-26(2,3)30-25(29)28-20-10-19-27-21-24(17-15-22-11-6-4-7-12-22)18-16-23-13-8-5-9-14-23/h4-9,11-14,24,27H,10,15-21H2,1-3H3,(H,28,29).
What are the key properties of tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate?
tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate has a molecular weight of 410.60 g/mol, XLogP of 5.37, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[4-phenyl-2-(2-phenylethyl)butyl]amino]propyl]carbamate is sourced from PubChem (CID 130376707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).