2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide

C22H28N2O2 — CID 26018394

IUPAC2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-16-7-12-21(14-17(16)2)26-15-22(25)23-19-8-10-20(11-9-19)24-13-5-4-6-18(24)3/h7-12,14,18H,4-6,13,15H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyGASDNTGIBSBXDZ-GOSISDBHSA-N
MW352.48 g/mol
LogP4.70
Rot. Bonds5

About 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide (PubChem CID 26018394) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
PubChem CID26018394
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1C
InChIInChI=1S/C22H28N2O2/c1-16-7-12-21(14-17(16)2)26-15-22(25)23-19-8-10-20(11-9-19)24-13-5-4-6-18(24)3/h7-12,14,18H,4-6,13,15H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyGASDNTGIBSBXDZ-GOSISDBHSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[4-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 17102832
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
2-(3,4-dimethylphenoxy)-N-(4-methylsulfanylphenyl)acetamide
CID 9153670
2-(3,4-dimethylphenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295499
2-[4-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 7316235
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 55573308
N-[2-(cyclopropanecarbonylamino)ethyl]-4-[[2-(3,4-dimethylphenoxy)acetyl]amino]benzamide
CID 121062535
2-(3-methyl-4-propan-2-ylphenoxy)-N-(4-piperidin-1-ylphenyl)acetamide
CID 1185687
2-(3,4-dimethylphenoxy)-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43992474
N-(4-butan-2-yloxyphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 17160586
2-(3,4-dimethylphenoxy)-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]acetamide
CID 17335458

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide (CID 26018394) is 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide is Cc1ccc(OCC(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
The InChIKey is GASDNTGIBSBXDZ-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-7-12-21(14-17(16)2)26-15-22(25)23-19-8-10-20(11-9-19)24-13-5-4-6-18(24)3/h7-12,14,18H,4-6,13,15H2,1-3H3,(H,23,25)/t18-/m1/s1.
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide has a molecular weight of 352.48 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 26018394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).