2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

C22H28N2O2 — CID 9142680

IUPAC2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2ccccc2CN2CCCC2)c1
InChIInChI=1S/C22H28N2O2/c1-17-11-18(2)13-21(12-17)26-16-22(25)23-14-19-7-3-4-8-20(19)15-24-9-5-6-10-24/h3-4,7-8,11-13H,5-6,9-10,14-16H2,1-2H3,(H,23,25)
InChIKeyKHLFMLBMWLVTQI-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.59
Rot. Bonds7

About 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide

2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 9142680) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID9142680
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)NCc2ccccc2CN2CCCC2)c1
InChIInChI=1S/C22H28N2O2/c1-17-11-18(2)13-21(12-17)26-16-22(25)23-14-19-7-3-4-8-20(19)15-24-9-5-6-10-24/h3-4,7-8,11-13H,5-6,9-10,14-16H2,1-2H3,(H,23,25)
InChIKeyKHLFMLBMWLVTQI-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969266
2-(4-nitrophenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 41437994
4-(4-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 31644615
2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 925596
2-(2-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142639
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 9142893
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912148
3-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 9142669
2-(3-methylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133187856
2-(4-methoxyphenoxy)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 36554280

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide (CID 9142680) is 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is Cc1cc(C)cc(OCC(=O)NCc2ccccc2CN2CCCC2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is KHLFMLBMWLVTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-11-18(2)13-21(12-17)26-16-22(25)23-14-19-7-3-4-8-20(19)15-24-9-5-6-10-24/h3-4,7-8,11-13H,5-6,9-10,14-16H2,1-2H3,(H,23,25).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 9142680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).