2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

C22H26N2O3 — CID 55710063

IUPAC2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-5-8-17(2)21(16)27-15-20(25)23-14-18-9-6-10-19(13-18)22(26)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,25)
InChIKeyQGLQAFGERHVLCR-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.23
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide

2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (PubChem CID 55710063) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
PubChem CID55710063
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
SMILESCc1cccc(C)c1OCC(=O)NCc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-7-5-8-17(2)21(16)27-15-20(25)23-14-18-9-6-10-19(13-18)22(26)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,25)
InChIKeyQGLQAFGERHVLCR-UHFFFAOYSA-N
XLogP3.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294910
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
2-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 9495693
2-[(2S)-oxolan-2-yl]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 94130282
3-(pyrimidin-2-ylamino)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]propanamide
CID 55840624
1-(3,4-dimethylphenyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075873
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55701806
1-(2,5-dimethylphenyl)-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075864
ethane;N-[[3-(morpholine-4-carbonyl)phenyl]methyl]propanamide
CID 145404555
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide (CID 55710063) is 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is Cc1cccc(C)c1OCC(=O)NCc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
The InChIKey is QGLQAFGERHVLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-7-5-8-17(2)21(16)27-15-20(25)23-14-18-9-6-10-19(13-18)22(26)24-11-3-4-12-24/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,25).
What are the key properties of 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide?
2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide has a molecular weight of 366.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55710063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).