3,4-diethoxy-N-(5-hydroxypentyl)benzamide

C16H25NO4 — CID 107319057

IUPAC3,4-diethoxy-N-(5-hydroxypentyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCCCO)cc1OCC
InChIInChI=1S/C16H25NO4/c1-3-20-14-9-8-13(12-15(14)21-4-2)16(19)17-10-6-5-7-11-18/h8-9,12,18H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyMCFAPAFFJPTSJW-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.38
Rot. Bonds10

About 3,4-diethoxy-N-(5-hydroxypentyl)benzamide

3,4-diethoxy-N-(5-hydroxypentyl)benzamide (PubChem CID 107319057) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3,4-diethoxy-N-(5-hydroxypentyl)benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-(5-hydroxypentyl)benzamide
PubChem CID107319057
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name3,4-diethoxy-N-(5-hydroxypentyl)benzamide
SMILESCCOc1ccc(C(=O)NCCCCCO)cc1OCC
InChIInChI=1S/C16H25NO4/c1-3-20-14-9-8-13(12-15(14)21-4-2)16(19)17-10-6-5-7-11-18/h8-9,12,18H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyMCFAPAFFJPTSJW-UHFFFAOYSA-N
XLogP2.38
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.38
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-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
2-ethoxy-N-(6-hydroxyhexyl)benzamide
CID 103919109
3-amino-4-ethoxy-N-(2-hydroxyethyl)benzamide
CID 61093968
3,4-diethoxy-N-pent-3-ynylbenzamide
CID 115977163
3-bromo-N-butyl-4-ethoxybenzamide
CID 17142993
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
CID 103861912
3,4-diethoxy-N-[3-(4-methoxy-N-methylanilino)propyl]benzamide
CID 100535556
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-(5-hydroxypentyl)benzamide?
The IUPAC name of 3,4-diethoxy-N-(5-hydroxypentyl)benzamide (CID 107319057) is 3,4-diethoxy-N-(5-hydroxypentyl)benzamide.
What is the SMILES notation for 3,4-diethoxy-N-(5-hydroxypentyl)benzamide?
The canonical SMILES for 3,4-diethoxy-N-(5-hydroxypentyl)benzamide is CCOc1ccc(C(=O)NCCCCCO)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-(5-hydroxypentyl)benzamide?
The InChIKey is MCFAPAFFJPTSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-3-20-14-9-8-13(12-15(14)21-4-2)16(19)17-10-6-5-7-11-18/h8-9,12,18H,3-7,10-11H2,1-2H3,(H,17,19).
What are the key properties of 3,4-diethoxy-N-(5-hydroxypentyl)benzamide?
3,4-diethoxy-N-(5-hydroxypentyl)benzamide has a molecular weight of 295.38 g/mol, XLogP of 2.38, 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-(5-hydroxypentyl)benzamide is sourced from PubChem (CID 107319057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).