2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

C21H26N2O2 — CID 925596

IUPAC2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-16-11-17(2)13-20(12-16)25-15-21(24)22-19-7-5-18(6-8-19)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3,(H,22,24)
InChIKeyVFBIDTUUQPJTCB-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.92
Rot. Bonds6

About 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide

2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (PubChem CID 925596) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
PubChem CID925596
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
SMILESCc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O2/c1-16-11-17(2)13-20(12-16)25-15-21(24)22-19-7-5-18(6-8-19)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3,(H,22,24)
InChIKeyVFBIDTUUQPJTCB-UHFFFAOYSA-N
XLogP3.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 2197171
2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743731
2-(3,5-dimethylphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]acetamide
CID 3515885
(3S)-1-[[4-[[2-(3-methylphenoxy)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide
CID 52523404
2-(3,5-dimethylphenoxy)-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 2950672
2-(3,5-dimethylphenoxy)-N-(4-iodophenyl)acetamide
CID 2554425
2-(2,5-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide
CID 108762057
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142680
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
2-(4-chloro-3,5-dimethylphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1245566
2-(4-methylphenoxy)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743222

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide (CID 925596) is 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is Cc1cc(C)cc(OCC(=O)Nc2ccc(CN3CCCC3)cc2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
The InChIKey is VFBIDTUUQPJTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-11-17(2)13-20(12-16)25-15-21(24)22-19-7-5-18(6-8-19)14-23-9-3-4-10-23/h5-8,11-13H,3-4,9-10,14-15H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide?
2-(3,5-dimethylphenoxy)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 3.92, 6 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-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 925596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).