N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride

C19H29ClN2O2 — CID 45265527

IUPACN-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCN(C(=O)COc1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-20(19(22)15-23-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21;/h2-4,9-10,17-18H,5-8,11-15H2,1H3;1H/t17-,18-;/m1./s1
InChIKeyYSBFTVWCIQTGEP-JAXOOIEVSA-N
MW352.91 g/mol
LogP3.35
Rot. Bonds5

About N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride

N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (PubChem CID 45265527) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
PubChem CID45265527
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC NameN-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCN(C(=O)COc1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-20(19(22)15-23-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21;/h2-4,9-10,17-18H,5-8,11-15H2,1H3;1H/t17-,18-;/m1./s1
InChIKeyYSBFTVWCIQTGEP-JAXOOIEVSA-N
XLogP3.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The IUPAC name of N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (CID 45265527) is N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The canonical SMILES for N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is CN(C(=O)COc1ccccc1)[C@@H]1CCCC[C@H]1N1CCCC1.Cl.
What is the InChIKey of N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The InChIKey is YSBFTVWCIQTGEP-JAXOOIEVSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-20(19(22)15-23-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21;/h2-4,9-10,17-18H,5-8,11-15H2,1H3;1H/t17-,18-;/m1./s1.
What are the key properties of N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 45265527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).