[(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate

C23H25N3O3 — CID 177445632

IUPAC[(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)26-22(28)29-20(13-16-9-5-4-6-10-16)21(27)25-18-14-17-11-7-8-12-19(17)24-15-18/h4-12,14-15,20H,13H2,1-3H3,(H,25,27)(H,26,28)/t20-/m1/s1
InChIKeyUUJUYBNVEPPGSK-HXUWFJFHSA-N
MW391.47 g/mol
LogP4.31
Rot. Bonds5

About [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate

[(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate (PubChem CID 177445632) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate
PubChem CID177445632
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)26-22(28)29-20(13-16-9-5-4-6-10-16)21(27)25-18-14-17-11-7-8-12-19(17)24-15-18/h4-12,14-15,20H,13H2,1-3H3,(H,25,27)(H,26,28)/t20-/m1/s1
InChIKeyUUJUYBNVEPPGSK-HXUWFJFHSA-N
XLogP4.31
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate (CID 177445632) is [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H](Cc1ccccc1)C(=O)Nc1cnc2ccccc2c1.
What is the InChIKey of [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate?
The InChIKey is UUJUYBNVEPPGSK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2,3)26-22(28)29-20(13-16-9-5-4-6-10-16)21(27)25-18-14-17-11-7-8-12-19(17)24-15-18/h4-12,14-15,20H,13H2,1-3H3,(H,25,27)(H,26,28)/t20-/m1/s1.
What are the key properties of [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate?
[(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate has a molecular weight of 391.47 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-3-phenyl-1-(quinolin-3-ylamino)propan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 177445632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).