3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide

C22H29NO4 — CID 46421326

IUPAC3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCOC(C)c2ccccc2)cc1OCC
InChIInChI=1S/C22H29NO4/c1-4-25-20-13-12-19(16-21(20)26-5-2)22(24)23-14-9-15-27-17(3)18-10-7-6-8-11-18/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3,(H,23,24)
InChIKeyGPKIIIDQKHENAR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.38
Rot. Bonds11

About 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide

3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide (PubChem CID 46421326) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
PubChem CID46421326
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide
SMILESCCOc1ccc(C(=O)NCCCOC(C)c2ccccc2)cc1OCC
InChIInChI=1S/C22H29NO4/c1-4-25-20-13-12-19(16-21(20)26-5-2)22(24)23-14-9-15-27-17(3)18-10-7-6-8-11-18/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3,(H,23,24)
InChIKeyGPKIIIDQKHENAR-UHFFFAOYSA-N
XLogP4.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.38
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-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
2-methyl-1,3-dioxo-N-[3-(1-phenylethoxy)propyl]isoindole-5-carboxamide
CID 46536752
3,4-diethoxy-N-(1-phenylethyl)benzamide
CID 3369950
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578
4-(ethylsulfanylmethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55898740
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
CID 119528577
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487
3-ethoxy-N-(2-methoxyethyl)-4-(2-phenoxyethoxy)benzamide
CID 35810602
2-(5-acetyl-2-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 46536768

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide (CID 46421326) is 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide is CCOc1ccc(C(=O)NCCCOC(C)c2ccccc2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
The InChIKey is GPKIIIDQKHENAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-25-20-13-12-19(16-21(20)26-5-2)22(24)23-14-9-15-27-17(3)18-10-7-6-8-11-18/h6-8,10-13,16-17H,4-5,9,14-15H2,1-3H3,(H,23,24).
What are the key properties of 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide?
3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide has a molecular weight of 371.48 g/mol, XLogP of 4.38, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[3-(1-phenylethoxy)propyl]benzamide is sourced from PubChem (CID 46421326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).