tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate

C22H30N2O2 — CID 70806696

IUPACtert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
SMILESC[C@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H30N2O2/c1-16(15-23-21(25)26-22(3,4)5)24-17(2)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,16-17,24H,15H2,1-5H3,(H,23,25)/t16-,17-/m0/s1
InChIKeyCSNMFGIAYSWUIE-IRXDYDNUSA-N
MW354.49 g/mol
LogP4.92
Rot. Bonds6

About tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate

tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate (PubChem CID 70806696) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
PubChem CID70806696
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Nametert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
SMILESC[C@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H30N2O2/c1-16(15-23-21(25)26-22(3,4)5)24-17(2)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,16-17,24H,15H2,1-5H3,(H,23,25)/t16-,17-/m0/s1
InChIKeyCSNMFGIAYSWUIE-IRXDYDNUSA-N
XLogP4.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103390477
tert-butyl N-[2-[1-(4-ethoxyphenyl)ethylamino]propyl]carbamate
CID 103388764
tert-butyl N-[2-[1-(3,5-difluorophenyl)ethylamino]propyl]carbamate
CID 107248584
tert-butyl N-[2-[1-(3,4-dimethylphenyl)ethylamino]propyl]carbamate
CID 107248220
tert-butyl N-[2-[[(1R)-1-(2-methylphenyl)ethyl]amino]propyl]carbamate
CID 103390508
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485
tert-butyl N-[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]propyl]carbamate
CID 103390521
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)butanoic acid
CID 175539402
tert-butyl N-[2-(1-phenylpentylamino)propyl]carbamate
CID 107248482
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate (CID 70806696) is tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate is C[C@H](N[C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate?
The InChIKey is CSNMFGIAYSWUIE-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-16(15-23-21(25)26-22(3,4)5)24-17(2)18-11-13-20(14-12-18)19-9-7-6-8-10-19/h6-14,16-17,24H,15H2,1-5H3,(H,23,25)/t16-,17-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate?
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate has a molecular weight of 354.49 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate is sourced from PubChem (CID 70806696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).