tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate

C26H28N2O4 — CID 90736393

IUPACtert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc3ccc(OCc4ccccc4)cc23)C1=O
InChIInChI=1S/C26H28N2O4/c1-26(2,3)32-25(30)27-22-14-15-28(24(22)29)23-11-7-10-19-12-13-20(16-21(19)23)31-17-18-8-5-4-6-9-18/h4-13,16,22H,14-15,17H2,1-3H3,(H,27,30)/t22-/m1/s1
InChIKeyKHORGYFNLFOJTL-JOCHJYFZSA-N
MW432.52 g/mol
LogP5.05
Rot. Bonds5

About tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate (PubChem CID 90736393) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate
PubChem CID90736393
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Nametert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc3ccc(OCc4ccccc4)cc23)C1=O
InChIInChI=1S/C26H28N2O4/c1-26(2,3)32-25(30)27-22-14-15-28(24(22)29)23-11-7-10-19-12-13-20(16-21(19)23)31-17-18-8-5-4-6-9-18/h4-13,16,22H,14-15,17H2,1-3H3,(H,27,30)/t22-/m1/s1
InChIKeyKHORGYFNLFOJTL-JOCHJYFZSA-N
XLogP5.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
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methyl N-[(3S)-1-[4-[(3-fluorophenyl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[1-[(2-bromo-4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]carbamate
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tert-butyl (3S)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
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benzyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,5-dioxo-3,4-dihydro-1-benzazepin-1-yl]acetate
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tert-butyl N-[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate (CID 90736393) is tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc3ccc(OCc4ccccc4)cc23)C1=O.
What is the InChIKey of tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is KHORGYFNLFOJTL-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-26(2,3)32-25(30)27-22-14-15-28(24(22)29)23-11-7-10-19-12-13-20(16-21(19)23)31-17-18-8-5-4-6-9-18/h4-13,16,22H,14-15,17H2,1-3H3,(H,27,30)/t22-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 432.52 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-2-oxo-1-(7-phenylmethoxynaphthalen-1-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 90736393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).