2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide

C18H21NO2 — CID 27823691

IUPAC2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO2/c1-13-4-7-16(8-5-13)21-11-10-19-18(20)17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyZKRDFNFVKVQGKT-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.42
Rot. Bonds5

About 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide

2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide (PubChem CID 27823691) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
PubChem CID27823691
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide
SMILESCc1ccc(OCCNC(=O)c2ccc(C)cc2C)cc1
InChIInChI=1S/C18H21NO2/c1-13-4-7-16(8-5-13)21-11-10-19-18(20)17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyZKRDFNFVKVQGKT-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-2,4-dimethylbenzamide
CID 95161709
ethane;N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 178149105
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523
2-[2-[(2,4-dimethylbenzoyl)amino]ethoxy]acetic acid
CID 79456990
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
1-(2,4-dimethylphenyl)-3-[2-(4-methylphenoxy)ethyl]urea
CID 112970080
4-fluoro-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761255
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
2,3-dihydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 114344196

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide (CID 27823691) is 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide is Cc1ccc(OCCNC(=O)c2ccc(C)cc2C)cc1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
The InChIKey is ZKRDFNFVKVQGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-4-7-16(8-5-13)21-11-10-19-18(20)17-9-6-14(2)12-15(17)3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide?
2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide has a molecular weight of 283.37 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 27823691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).