N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide

C18H21NO2 — CID 178089820

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccccc2)cc1C
InChIInChI=1S/C18H21NO2/c1-14-9-10-17(13-15(14)2)21-12-11-19(3)18(20)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
InChIKeyKGFNTCACRDBSBI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.45
Rot. Bonds5

About N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide

N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide (PubChem CID 178089820) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
PubChem CID178089820
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide
SMILESCc1ccc(OCCN(C)C(=O)c2ccccc2)cc1C
InChIInChI=1S/C18H21NO2/c1-14-9-10-17(13-15(14)2)21-12-11-19(3)18(20)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3
InChIKeyKGFNTCACRDBSBI-UHFFFAOYSA-N
XLogP3.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
2-(3,4-dimethylphenoxy)ethyl-methylcarbamic acid
CID 146277523
N-[2-(4-chlorophenoxy)ethyl]-N,3,4-trimethylbenzamide
CID 112792740
2-(3,4-dimethylphenoxy)-N,N-dimethylethanamine
CID 82075858
4-iodo-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676165
N-methyl-N-[2-[4-(2-methylindole-1-carbonyl)phenoxy]ethyl]benzamide
CID 141042895
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
N-[2-[6-[(Z)-N'-hydrazinylcarbamimidoyl]naphthalen-2-yl]oxyethyl]-N-methylbenzamide;molecular hydrogen
CID 178089883
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
N-methyl-3-methylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 27822055
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
4-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide (CID 178089820) is N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide is Cc1ccc(OCCN(C)C(=O)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide?
The InChIKey is KGFNTCACRDBSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14-9-10-17(13-15(14)2)21-12-11-19(3)18(20)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3.
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide has a molecular weight of 283.37 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-N-methylbenzamide is sourced from PubChem (CID 178089820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).