N,3-diethoxy-4-(2-phenoxyethoxy)benzamide

C19H23NO5 — CID 30689941

IUPACN,3-diethoxy-4-(2-phenoxyethoxy)benzamide
SMILESCCONC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1
InChIInChI=1S/C19H23NO5/c1-3-22-18-14-15(19(21)20-25-4-2)10-11-17(18)24-13-12-23-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)
InChIKeyDIEKWIPXHKHNDG-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.22
Rot. Bonds10

About N,3-diethoxy-4-(2-phenoxyethoxy)benzamide

N,3-diethoxy-4-(2-phenoxyethoxy)benzamide (PubChem CID 30689941) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is N,3-diethoxy-4-(2-phenoxyethoxy)benzamide.

Molecular Properties

Compound NameN,3-diethoxy-4-(2-phenoxyethoxy)benzamide
PubChem CID30689941
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC NameN,3-diethoxy-4-(2-phenoxyethoxy)benzamide
SMILESCCONC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1
InChIInChI=1S/C19H23NO5/c1-3-22-18-14-15(19(21)20-25-4-2)10-11-17(18)24-13-12-23-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)
InChIKeyDIEKWIPXHKHNDG-UHFFFAOYSA-N
XLogP3.22
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyridin-2-ylmethyl)benzamide
CID 35511449
3-ethoxy-4-(2-phenoxyethoxy)-N-(1,3-thiazol-2-yl)benzamide
CID 2472295
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
CID 29394084
N-[4-(cyanomethyl)phenyl]-3-ethoxy-4-(2-phenoxyethoxy)benzamide
CID 60599177
1-[3-ethoxy-4-(2-phenoxyethoxy)benzenecarbothioyl]piperidine-4-carboxamide
CID 126210649
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
[(3R)-3-aminopyrrolidin-1-yl]-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methanone;hydrochloride
CID 119413073
3-ethoxy-4-(2-phenoxyethoxy)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55795864
3-ethoxy-N-(2-oxochromen-6-yl)-4-(2-phenoxyethoxy)benzamide
CID 55978677
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate
CID 27385999
3-ethoxy-N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-phenoxyethoxy)benzamide
CID 42297313

Frequently Asked Questions

What is the IUPAC name of N,3-diethoxy-4-(2-phenoxyethoxy)benzamide?
The IUPAC name of N,3-diethoxy-4-(2-phenoxyethoxy)benzamide (CID 30689941) is N,3-diethoxy-4-(2-phenoxyethoxy)benzamide.
What is the SMILES notation for N,3-diethoxy-4-(2-phenoxyethoxy)benzamide?
The canonical SMILES for N,3-diethoxy-4-(2-phenoxyethoxy)benzamide is CCONC(=O)c1ccc(OCCOc2ccccc2)c(OCC)c1.
What is the InChIKey of N,3-diethoxy-4-(2-phenoxyethoxy)benzamide?
The InChIKey is DIEKWIPXHKHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-3-22-18-14-15(19(21)20-25-4-2)10-11-17(18)24-13-12-23-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21).
What are the key properties of N,3-diethoxy-4-(2-phenoxyethoxy)benzamide?
N,3-diethoxy-4-(2-phenoxyethoxy)benzamide has a molecular weight of 345.40 g/mol, XLogP of 3.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethoxy-4-(2-phenoxyethoxy)benzamide is sourced from PubChem (CID 30689941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).