2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride

C20H31ClN2O2 — CID 54611509

IUPAC2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2N2CCCC2)cc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-21(20(23)15-16-9-11-17(24-2)12-10-16)18-7-3-4-8-19(18)22-13-5-6-14-22;/h9-12,18-19H,3-8,13-15H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyLGQVXMBSYSECJU-VOMIJIAVSA-N
MW366.93 g/mol
LogP3.52
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride

2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (PubChem CID 54611509) has the molecular formula C20H31ClN2O2 and a molecular weight of 366.93 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
PubChem CID54611509
Molecular FormulaC20H31ClN2O2
Molecular Weight366.93 g/mol
Exact Mass366.21
IUPAC Name2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride
SMILESCOc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2N2CCCC2)cc1.Cl
InChIInChI=1S/C20H30N2O2.ClH/c1-21(20(23)15-16-9-11-17(24-2)12-10-16)18-7-3-4-8-19(18)22-13-5-6-14-22;/h9-12,18-19H,3-8,13-15H2,1-2H3;1H/t18-,19+;/m1./s1
InChIKeyLGQVXMBSYSECJU-VOMIJIAVSA-N
XLogP3.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.93
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-phenyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878006
N-methyl-2-(4-nitrophenyl)-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 14632710
2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
N-methyl-2-(4-nitrophenyl)-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 46878015
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
(E)-but-2-enedioic acid;2-(4-chlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 54611504
2-(4-azidophenyl)-N-methyl-N-(2-piperidin-1-ylcyclohexyl)acetamide
CID 21328053
2-methoxy-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 139605835
N-methyl-2-phenoxy-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 14040444
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 122169746
N-[2-(azetidin-1-yl)cyclononyl]-2-(3,4-difluorophenyl)-N-methylacetamide
CID 21328090
2-(3-chlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide
CID 14771377

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride (CID 54611509) is 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is COc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2N2CCCC2)cc1.Cl.
What is the InChIKey of 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
The InChIKey is LGQVXMBSYSECJU-VOMIJIAVSA-N. The full InChI is InChI=1S/C20H30N2O2.ClH/c1-21(20(23)15-16-9-11-17(24-2)12-10-16)18-7-3-4-8-19(18)22-13-5-6-14-22;/h9-12,18-19H,3-8,13-15H2,1-2H3;1H/t18-,19+;/m1./s1.
What are the key properties of 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride?
2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride has a molecular weight of 366.93 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride is sourced from PubChem (CID 54611509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).