N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide

C18H21NO3 — CID 113100732

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NO3/c1-13-6-4-7-14(2)17(13)22-11-10-19-18(20)15-8-5-9-16(12-15)21-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyDEILXDXMLWWNJT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide

N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide (PubChem CID 113100732) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
PubChem CID113100732
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCCOc2c(C)cccc2C)c1
InChIInChI=1S/C18H21NO3/c1-13-6-4-7-14(2)17(13)22-11-10-19-18(20)15-8-5-9-16(12-15)21-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyDEILXDXMLWWNJT-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.12
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

3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113103051
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
3-methoxy-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174692
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[2-(4-chloro-2-methylphenoxy)ethyl]-3-methoxybenzamide
CID 113102585
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 112973291
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide (CID 113100732) is N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide is COc1cccc(C(=O)NCCOc2c(C)cccc2C)c1.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide?
The InChIKey is DEILXDXMLWWNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-6-4-7-14(2)17(13)22-11-10-19-18(20)15-8-5-9-16(12-15)21-3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 113100732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).