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

C19H23NO4 — CID 100531701

IUPACN-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
SMILESCCc1ccc(OCCNC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H23NO4/c1-4-14-8-10-15(11-9-14)24-13-12-20-19(21)16-6-5-7-17(22-2)18(16)23-3/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyDCZURPDXJYKMQP-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.08
Rot. Bonds8

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

N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide (PubChem CID 100531701) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
PubChem CID100531701
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide
SMILESCCc1ccc(OCCNC(=O)c2cccc(OC)c2OC)cc1
InChIInChI=1S/C19H23NO4/c1-4-14-8-10-15(11-9-14)24-13-12-20-19(21)16-6-5-7-17(22-2)18(16)23-3/h5-11H,4,12-13H2,1-3H3,(H,20,21)
InChIKeyDCZURPDXJYKMQP-UHFFFAOYSA-N
XLogP3.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.08
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

2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
N-[2-(2-fluorophenoxy)ethyl]-2,3-dimethoxybenzamide
CID 18170636
2-[4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]phenoxy]acetic acid
CID 119255472
4-[4-[[(2,3-dimethoxybenzoyl)amino]methyl]phenoxy]butanoic acid
CID 119247051
N-[2-[4-(cyanomethyl)phenoxy]ethyl]-2-hydroxy-3-methoxybenzamide
CID 166230623
N-[2-(4-propylphenoxy)ethyl]naphthalene-1-carboxamide
CID 2297093
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112975521
1-[2-(4-ethylphenoxy)ethyl]-3-[(2-methoxyphenyl)methyl]urea
CID 112972032
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 3647692
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
N-[3-(2-bromoethoxy)propyl]-2,3-dimethoxybenzamide
CID 106307155

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide (CID 100531701) is N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide is CCc1ccc(OCCNC(=O)c2cccc(OC)c2OC)cc1.
What is the InChIKey of N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide?
The InChIKey is DCZURPDXJYKMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-14-8-10-15(11-9-14)24-13-12-20-19(21)16-6-5-7-17(22-2)18(16)23-3/h5-11H,4,12-13H2,1-3H3,(H,20,21).
What are the key properties of N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide?
N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide has a molecular weight of 329.40 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenoxy)ethyl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 100531701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).