N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide

C19H23NO4 — CID 2173279

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2c(C)cccc2C)cc1OC
InChIInChI=1S/C19H23NO4/c1-13-6-5-7-14(2)18(13)24-11-10-20-19(21)15-8-9-16(22-3)17(12-15)23-4/h5-9,12H,10-11H2,1-4H3,(H,20,21)
InChIKeyKKQCHXPZVNPDPM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.13
Rot. Bonds7

About N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide

N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide (PubChem CID 2173279) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
PubChem CID2173279
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCOc2c(C)cccc2C)cc1OC
InChIInChI=1S/C19H23NO4/c1-13-6-5-7-14(2)18(13)24-11-10-20-19(21)15-8-9-16(22-3)17(12-15)23-4/h5-9,12H,10-11H2,1-4H3,(H,20,21)
InChIKeyKKQCHXPZVNPDPM-UHFFFAOYSA-N
XLogP3.13
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
CID 610361
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
3,4,5-trimethoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]benzamide
CID 113101112
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
3,4-dimethoxy-N-[2-(2-propan-2-ylphenoxy)ethyl]benzamide
CID 99099115
3,4-dimethoxy-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108537745
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide (CID 2173279) is N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCOc2c(C)cccc2C)cc1OC.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is KKQCHXPZVNPDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-6-5-7-14(2)18(13)24-11-10-20-19(21)15-8-9-16(22-3)17(12-15)23-4/h5-9,12H,10-11H2,1-4H3,(H,20,21).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 2173279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).