[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

C22H28N2O2 — CID 121425448

IUPAC[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCC(C)CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)15-24-14-8-11-19(24)16-26-22(25)23-21-13-7-6-12-20(21)18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19H,8,11,14-16H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyUKYMUQJDEBFDLC-IBGZPJMESA-N
MW352.48 g/mol
LogP5.02
Rot. Bonds6

About [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (PubChem CID 121425448) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
PubChem CID121425448
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCC(C)CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C22H28N2O2/c1-17(2)15-24-14-8-11-19(24)16-26-22(25)23-21-13-7-6-12-20(21)18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19H,8,11,14-16H2,1-2H3,(H,23,25)/t19-/m0/s1
InChIKeyUKYMUQJDEBFDLC-IBGZPJMESA-N
XLogP5.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.48
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The IUPAC name of [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (CID 121425448) is [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The canonical SMILES for [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is CC(C)CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The InChIKey is UKYMUQJDEBFDLC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17(2)15-24-14-8-11-19(24)16-26-22(25)23-21-13-7-6-12-20(21)18-9-4-3-5-10-18/h3-7,9-10,12-13,17,19H,8,11,14-16H2,1-2H3,(H,23,25)/t19-/m0/s1.
What are the key properties of [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate has a molecular weight of 352.48 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 121425448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).