3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide

C21H27NO5 — CID 55416508

IUPAC3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCOc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C21H27NO5/c1-4-13-27-19-11-6-16(15-20(19)25-5-2)21(23)22-12-14-26-18-9-7-17(24-3)8-10-18/h6-11,15H,4-5,12-14H2,1-3H3,(H,22,23)
InChIKeyNVUOSTGNUQRMMP-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.69
Rot. Bonds11

About 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide

3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide (PubChem CID 55416508) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
PubChem CID55416508
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NCCOc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C21H27NO5/c1-4-13-27-19-11-6-16(15-20(19)25-5-2)21(23)22-12-14-26-18-9-7-17(24-3)8-10-18/h6-11,15H,4-5,12-14H2,1-3H3,(H,22,23)
InChIKeyNVUOSTGNUQRMMP-UHFFFAOYSA-N
XLogP3.69
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
4-butoxy-3-ethoxy-N-(4-methoxyphenyl)benzamide
CID 27228846
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
3-ethoxy-4-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 31916381
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-3-nitrobenzamide
CID 41442755
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
3-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 27173443
3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
CID 100535556
N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
CID 100560116
3-fluoro-4-methoxy-N-[3-(4-methoxyphenoxy)propyl]benzamide
CID 86836580
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide?
The IUPAC name of 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide (CID 55416508) is 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide?
The canonical SMILES for 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)NCCOc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide?
The InChIKey is NVUOSTGNUQRMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-4-13-27-19-11-6-16(15-20(19)25-5-2)21(23)22-12-14-26-18-9-7-17(24-3)8-10-18/h6-11,15H,4-5,12-14H2,1-3H3,(H,22,23).
What are the key properties of 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide?
3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide has a molecular weight of 373.45 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-propoxybenzamide is sourced from PubChem (CID 55416508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).