tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

C23H28N2O3 — CID 45270640

IUPACtert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)24-19(16-17-10-5-4-6-11-17)21(26)25-15-9-13-18-12-7-8-14-20(18)25/h4-8,10-12,14,19H,9,13,15-16H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyQUBHROIFRSYELZ-IBGZPJMESA-N
MW380.49 g/mol
LogP4.10
Rot. Bonds4

About tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 45270640) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID45270640
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nametert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)24-19(16-17-10-5-4-6-11-17)21(26)25-15-9-13-18-12-7-8-14-20(18)25/h4-8,10-12,14,19H,9,13,15-16H2,1-3H3,(H,24,27)/t19-/m0/s1
InChIKeyQUBHROIFRSYELZ-IBGZPJMESA-N
XLogP4.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate (CID 45270640) is tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is QUBHROIFRSYELZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H28N2O3/c1-23(2,3)28-22(27)24-19(16-17-10-5-4-6-11-17)21(26)25-15-9-13-18-12-7-8-14-20(18)25/h4-8,10-12,14,19H,9,13,15-16H2,1-3H3,(H,24,27)/t19-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 380.49 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 45270640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).