tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate

C24H25NO3 — CID 173331106

IUPACtert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H25NO3/c1-24(2,3)28-23(27)25-21(16-17-10-5-4-6-11-17)22(26)20-15-9-13-18-12-7-8-14-19(18)20/h4-15,21H,16H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyRULRSKNVPGKZSA-NRFANRHFSA-N
MW375.47 g/mol
LogP5.16
Rot. Bonds5

About tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate

tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 173331106) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID173331106
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Nametert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C24H25NO3/c1-24(2,3)28-23(27)25-21(16-17-10-5-4-6-11-17)22(26)20-15-9-13-18-12-7-8-14-19(18)20/h4-15,21H,16H2,1-3H3,(H,25,27)/t21-/m0/s1
InChIKeyRULRSKNVPGKZSA-NRFANRHFSA-N
XLogP5.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate (CID 173331106) is tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is RULRSKNVPGKZSA-NRFANRHFSA-N. The full InChI is InChI=1S/C24H25NO3/c1-24(2,3)28-23(27)25-21(16-17-10-5-4-6-11-17)22(26)20-15-9-13-18-12-7-8-14-19(18)20/h4-15,21H,16H2,1-3H3,(H,25,27)/t21-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 375.47 g/mol, XLogP of 5.16, 5 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-naphthalen-1-yl-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 173331106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).