N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide

C20H30N2O — CID 10087023

IUPACN-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
InChIKeyLJIIUDVZDYITID-IBGZPJMESA-N
MW314.47 g/mol
LogP3.39
Rot. Bonds6

About N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide

N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide (PubChem CID 10087023) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide
PubChem CID10087023
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC NameN-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide
SMILESO=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1
InChIInChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1
InChIKeyLJIIUDVZDYITID-IBGZPJMESA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The IUPAC name of N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide (CID 10087023) is N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide is O=C(NC[C@@H]1CCCN1CCc1ccccc1)C1CCCCC1.
What is the InChIKey of N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
The InChIKey is LJIIUDVZDYITID-IBGZPJMESA-N. The full InChI is InChI=1S/C20H30N2O/c23-20(18-10-5-2-6-11-18)21-16-19-12-7-14-22(19)15-13-17-8-3-1-4-9-17/h1,3-4,8-9,18-19H,2,5-7,10-16H2,(H,21,23)/t19-/m0/s1.
What are the key properties of N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide?
N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide has a molecular weight of 314.47 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]cyclohexanecarboxamide is sourced from PubChem (CID 10087023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).