tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate

C18H30N2O2 — CID 107247631

IUPACtert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
SMILESCC(CCc1ccccc1)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-14(11-12-16-9-7-6-8-10-16)19-13-15(2)20-17(21)22-18(3,4)5/h6-10,14-15,19H,11-13H2,1-5H3,(H,20,21)
InChIKeyKYBNIRQJQJCGGN-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.51
Rot. Bonds7

About tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate

tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate (PubChem CID 107247631) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
PubChem CID107247631
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Nametert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
SMILESCC(CCc1ccccc1)NCC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H30N2O2/c1-14(11-12-16-9-7-6-8-10-16)19-13-15(2)20-17(21)22-18(3,4)5/h6-10,14-15,19H,11-13H2,1-5H3,(H,20,21)
InChIKeyKYBNIRQJQJCGGN-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
methyl N-[(2S)-4-phenylbutan-2-yl]carbamate
CID 888027
methyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]benzoate
CID 122389859
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940
tert-butyl N-[2-(4-phenylbutan-2-ylamino)butyl]carbamate
CID 107251008
tert-butyl N-[1-(hydroxyamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 74947129
tert-butyl N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 14136105
tert-butyl N-[(2S)-1-(1,5-diphenylpentan-3-ylamino)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]carbamate
CID 130376708
tert-butyl N-[(2S)-1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 90371301
3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 71245585
tert-butyl N-[(2S,3R)-2-hydroxy-1-[[(2S,3R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-5-phenylpentan-3-yl]carbamate
CID 5327517
tert-butyl N-(1-benzamidopropan-2-yl)carbamate
CID 177434930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate (CID 107247631) is tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate is CC(CCc1ccccc1)NCC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate?
The InChIKey is KYBNIRQJQJCGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(11-12-16-9-7-6-8-10-16)19-13-15(2)20-17(21)22-18(3,4)5/h6-10,14-15,19H,11-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate?
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate has a molecular weight of 306.45 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate is sourced from PubChem (CID 107247631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).