N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide

C21H28N2O2 — CID 8793773

IUPACN-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
SMILESCc1cccc(OCCCN(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H28N2O2/c1-16-8-5-11-19(14-16)25-13-7-12-23(4)15-20(24)22-21-17(2)9-6-10-18(21)3/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,22,24)
InChIKeyCCAFFNYBCMIODU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.95
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide (PubChem CID 8793773) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
PubChem CID8793773
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide
SMILESCc1cccc(OCCCN(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C21H28N2O2/c1-16-8-5-11-19(14-16)25-13-7-12-23(4)15-20(24)22-21-17(2)9-6-10-18(21)3/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,22,24)
InChIKeyCCAFFNYBCMIODU-UHFFFAOYSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 9221714
2-[methyl-[3-(3-methylphenoxy)propyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 8814616
N-(3-fluoro-4-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426089
N-(4-bromo-2-methylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 26426433
N-(2-ethylphenyl)-2-[methyl-[2-(3-methylphenoxy)ethyl]amino]acetamide
CID 27121748
N-(2,6-dimethylphenyl)-2-[methyl-[3-(methylamino)propyl]amino]acetamide
CID 18005848
2-[methyl(2-phenoxyethyl)amino]-N-(3-methylphenyl)acetamide
CID 8797607
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(3-methylsulfanylphenyl)acetamide
CID 27121782
2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9197449
N-(2,6-dimethylphenyl)-2-[(2,5-dimethylphenyl)methyl-methylamino]acetamide
CID 9221850
2-[2-(2-chlorophenoxy)ethyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 38302921
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 9222182

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide (CID 8793773) is N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide is Cc1cccc(OCCCN(C)CC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide?
The InChIKey is CCAFFNYBCMIODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16-8-5-11-19(14-16)25-13-7-12-23(4)15-20(24)22-21-17(2)9-6-10-18(21)3/h5-6,8-11,14H,7,12-13,15H2,1-4H3,(H,22,24).
What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide?
N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[methyl-[3-(3-methylphenoxy)propyl]amino]acetamide is sourced from PubChem (CID 8793773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).