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

C20H25NO3 — CID 100560116

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H25NO3/c1-5-23-19-9-7-17(12-16(19)4)20(22)21-10-11-24-18-8-6-14(2)15(3)13-18/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyUETICCFAYFEOLB-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.82
Rot. Bonds7

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

N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide (PubChem CID 100560116) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
PubChem CID100560116
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
SMILESCCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1C
InChIInChI=1S/C20H25NO3/c1-5-23-19-9-7-17(12-16(19)4)20(22)21-10-11-24-18-8-6-14(2)15(3)13-18/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,22)
InChIKeyUETICCFAYFEOLB-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.82
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-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
CID 113101021
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
[4-(ethylcarbamoyl)phenyl] 4-ethoxy-3-methylbenzoate
CID 86960874
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide (CID 100560116) is N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide is CCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide?
The InChIKey is UETICCFAYFEOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-23-19-9-7-17(12-16(19)4)20(22)21-10-11-24-18-8-6-14(2)15(3)13-18/h6-9,12-13H,5,10-11H2,1-4H3,(H,21,22).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide has a molecular weight of 327.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide is sourced from PubChem (CID 100560116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).