[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

C21H26N2O2 — CID 121425450

IUPAC[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCC(C)N1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(2)23-14-8-11-18(23)15-25-21(24)22-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyADDLJMRWTOPDCH-SFHVURJKSA-N
MW338.45 g/mol
LogP4.77
Rot. Bonds5

About [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (PubChem CID 121425450) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
PubChem CID121425450
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCC(C)N1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(2)23-14-8-11-18(23)15-25-21(24)22-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyADDLJMRWTOPDCH-SFHVURJKSA-N
XLogP4.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The IUPAC name of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (CID 121425450) is [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The canonical SMILES for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is CC(C)N1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The InChIKey is ADDLJMRWTOPDCH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)23-14-8-11-18(23)15-25-21(24)22-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate has a molecular weight of 338.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 121425450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).