N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

C19H28N2O — CID 46878006

IUPACN-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)Cc1ccccc1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H28N2O/c1-20(19(22)15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18+/m1/s1
InChIKeyYYQWHXMAQHKNHD-MSOLQXFVSA-N
MW300.45 g/mol
LogP3.09
Rot. Bonds4

About N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide

N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (PubChem CID 46878006) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
PubChem CID46878006
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
SMILESCN(C(=O)Cc1ccccc1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H28N2O/c1-20(19(22)15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18+/m1/s1
InChIKeyYYQWHXMAQHKNHD-MSOLQXFVSA-N
XLogP3.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The IUPAC name of N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide (CID 46878006) is N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide.
What is the SMILES notation for N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The canonical SMILES for N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is CN(C(=O)Cc1ccccc1)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
The InChIKey is YYQWHXMAQHKNHD-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N2O/c1-20(19(22)15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18+/m1/s1.
What are the key properties of N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide?
N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide is sourced from PubChem (CID 46878006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).