3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide

C21H26N2O3 — CID 24552780

IUPAC3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(OCCCNC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O3/c1-15-6-4-7-19(13-15)26-9-5-8-22-20(24)14-23-21(25)18-11-16(2)10-17(3)12-18/h4,6-7,10-13H,5,8-9,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPIUNYJXPXDQJPT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.93
Rot. Bonds8

About 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide

3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide (PubChem CID 24552780) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
PubChem CID24552780
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
SMILESCc1cccc(OCCCNC(=O)CNC(=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H26N2O3/c1-15-6-4-7-19(13-15)26-9-5-8-22-20(24)14-23-21(25)18-11-16(2)10-17(3)12-18/h4,6-7,10-13H,5,8-9,14H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyPIUNYJXPXDQJPT-UHFFFAOYSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[2-oxo-2-(3-phenoxypropylamino)ethyl]benzamide
CID 51241490
N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]-4-propan-2-yloxybenzamide
CID 24552786
3-(dimethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552788
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-(diethylsulfamoyl)-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 31686539
3-bromo-5-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 104852569
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
2,2-dimethyl-N-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl]propanamide
CID 31326707
N-(2-methoxyethyl)-2-[2-(3-methylphenoxy)ethylamino]acetamide
CID 54940682
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
N-[2-(3-methylphenoxy)ethyl]-2-(propan-2-ylamino)acetamide
CID 54940324
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide (CID 24552780) is 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide is Cc1cccc(OCCCNC(=O)CNC(=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
The InChIKey is PIUNYJXPXDQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-15-6-4-7-19(13-15)26-9-5-8-22-20(24)14-23-21(25)18-11-16(2)10-17(3)12-18/h4,6-7,10-13H,5,8-9,14H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide?
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24552780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).