tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate

C16H24N2O3 — CID 95338637

IUPACtert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
SMILESCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13(10-11-14(19)17-4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyIIBFEKBSIUOZJE-ZDUSSCGKSA-N
MW292.38 g/mol
LogP2.78
Rot. Bonds5

About tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate

tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate (PubChem CID 95338637) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
PubChem CID95338637
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nametert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
SMILESCNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13(10-11-14(19)17-4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)(H,18,20)/t13-/m0/s1
InChIKeyIIBFEKBSIUOZJE-ZDUSSCGKSA-N
XLogP2.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate
CID 95338638
methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56979796
tert-butyl N-[2-(methylamino)-1-phenylethyl]carbamate
CID 74220322
ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 121415297
4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(4-phenylphenyl)butanoic acid
CID 123772508
[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] methanesulfonate
CID 86652874
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhexanoate
CID 14003425
tert-butyl N-[(1R)-4-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1-phenylbutyl]carbamate
CID 159715005
tert-butyl N-[(1S)-2-ethoxy-1-phenylethyl]carbamate
CID 141256411
tert-butyl N-(4-azido-1-phenylbutyl)carbamate
CID 86590308
tert-butyl N-[(4E)-1-phenylhepta-4,6-dienyl]carbamate
CID 101201428
tert-butyl N-[3-(pentylamino)-1-phenylpropyl]carbamate
CID 107256600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate (CID 95338637) is tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate is CNC(=O)CC[C@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate?
The InChIKey is IIBFEKBSIUOZJE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-13(10-11-14(19)17-4)12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)(H,18,20)/t13-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate?
tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate has a molecular weight of 292.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-4-(methylamino)-4-oxo-1-phenylbutyl]carbamate is sourced from PubChem (CID 95338637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).