3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide

C16H26N2O3 — CID 62658818

IUPAC3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-9-17-10-11-18-16(19)13-7-8-14(20-5-2)15(12-13)21-6-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyPLFMDQAXHYYLJF-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.21
Rot. Bonds10

About 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide

3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide (PubChem CID 62658818) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
PubChem CID62658818
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C16H26N2O3/c1-4-9-17-10-11-18-16(19)13-7-8-14(20-5-2)15(12-13)21-6-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19)
InChIKeyPLFMDQAXHYYLJF-UHFFFAOYSA-N
XLogP2.21
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
N-(2-aminoethyl)-3-ethoxy-4-propoxybenzamide
CID 119384376
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
3,4-diethoxy-N-pent-3-ynylbenzamide
CID 115977163
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
2-ethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658238
N-(3-aminobutyl)-3-ethoxy-4-propoxybenzamide
CID 119498085
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-(2-acetamidoethyl)-4-ethoxy-3-methylbenzamide
CID 110762173
3,4-diethoxy-N-(3-hydroxy-4,4-dimethylpentyl)benzamide
CID 90523428
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide (CID 62658818) is 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is PLFMDQAXHYYLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-9-17-10-11-18-16(19)13-7-8-14(20-5-2)15(12-13)21-6-3/h7-8,12,17H,4-6,9-11H2,1-3H3,(H,18,19).
What are the key properties of 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide?
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 294.40 g/mol, XLogP of 2.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 62658818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).