3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide

C19H23NO4 — CID 31916381

IUPAC3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCOc2cccc(C)c2)ccc1OC
InChIInChI=1S/C19H23NO4/c1-4-23-18-13-15(8-9-17(18)22-3)19(21)20-10-11-24-16-7-5-6-14(2)12-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21)
InChIKeyIGUOFQWBSLHNLD-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.21
Rot. Bonds8

About 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide

3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide (PubChem CID 31916381) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
PubChem CID31916381
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
SMILESCCOc1cc(C(=O)NCCOc2cccc(C)c2)ccc1OC
InChIInChI=1S/C19H23NO4/c1-4-23-18-13-15(8-9-17(18)22-3)19(21)20-10-11-24-16-7-5-6-14(2)12-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21)
InChIKeyIGUOFQWBSLHNLD-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
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

4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 55792742
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
3,4-dimethoxy-N-[2-(3-phenoxyphenoxy)ethyl]benzamide
CID 4065417
N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
CID 100560116
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626
4-methoxy-3-methyl-N-(2-phenoxyethyl)benzamide
CID 100543454
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
CID 55416508
3-chloro-4-hydroxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 18115620

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide (CID 31916381) is 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide is CCOc1cc(C(=O)NCCOc2cccc(C)c2)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
The InChIKey is IGUOFQWBSLHNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-23-18-13-15(8-9-17(18)22-3)19(21)20-10-11-24-16-7-5-6-14(2)12-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21).
What are the key properties of 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide?
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 31916381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).