tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate

C24H34N2O2 — CID 66781839

IUPACtert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate
SMILESCC(Cc1cccc(CCNC(=O)OC(C)(C)C)c1)N[C@H](C)c1ccccc1
InChIInChI=1S/C24H34N2O2/c1-18(26-19(2)22-12-7-6-8-13-22)16-21-11-9-10-20(17-21)14-15-25-23(27)28-24(3,4)5/h6-13,17-19,26H,14-16H2,1-5H3,(H,25,27)/t18?,19-/m1/s1
InChIKeyGHNIITGPCSFAHU-MUMRKEEXSA-N
MW382.55 g/mol
LogP5.04
Rot. Bonds8

About tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate

tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate (PubChem CID 66781839) has the molecular formula C24H34N2O2 and a molecular weight of 382.55 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate
PubChem CID66781839
Molecular FormulaC24H34N2O2
Molecular Weight382.55 g/mol
Exact Mass382.26
IUPAC Nametert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate
SMILESCC(Cc1cccc(CCNC(=O)OC(C)(C)C)c1)N[C@H](C)c1ccccc1
InChIInChI=1S/C24H34N2O2/c1-18(26-19(2)22-12-7-6-8-13-22)16-21-11-9-10-20(17-21)14-15-25-23(27)28-24(3,4)5/h6-13,17-19,26H,14-16H2,1-5H3,(H,25,27)/t18?,19-/m1/s1
InChIKeyGHNIITGPCSFAHU-MUMRKEEXSA-N
XLogP5.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
tert-butyl N-[2-[3-(2-methylbutyl)phenyl]ethyl]carbamate
CID 142596019
3-[3-[(2R)-2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 68719445
methyl 2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetate
CID 46938717
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
2-[3-[(2R)-2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]acetic acid;hydrochloride
CID 68718395
2-[3-[2-(1-phenylethylamino)propyl]phenyl]propanoic acid
CID 69325178
tert-butyl N-[(2S)-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]propyl]carbamate
CID 70806696
tert-butyl N-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]propyl]carbamate
CID 107862352
benzyl N-[2-[4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]ethyl]carbamate
CID 69064969
benzyl N-[(2S)-1-[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propan-2-yl]carbamate
CID 58748895
tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
CID 103390485

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate (CID 66781839) is tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate is CC(Cc1cccc(CCNC(=O)OC(C)(C)C)c1)N[C@H](C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate?
The InChIKey is GHNIITGPCSFAHU-MUMRKEEXSA-N. The full InChI is InChI=1S/C24H34N2O2/c1-18(26-19(2)22-12-7-6-8-13-22)16-21-11-9-10-20(17-21)14-15-25-23(27)28-24(3,4)5/h6-13,17-19,26H,14-16H2,1-5H3,(H,25,27)/t18?,19-/m1/s1.
What are the key properties of tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate has a molecular weight of 382.55 g/mol, XLogP of 5.04, 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-[3-[2-[[(1R)-1-phenylethyl]amino]propyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 66781839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).