3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide

C15H23NO4 — CID 107319012

IUPAC3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCCCCO)ccc1OC
InChIInChI=1S/C15H23NO4/c1-3-20-14-11-12(7-8-13(14)19-2)15(18)16-9-5-4-6-10-17/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyMIXDXOUNSWUFCP-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.99
Rot. Bonds9

About 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide

3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide (PubChem CID 107319012) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
PubChem CID107319012
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
SMILESCCOc1cc(C(=O)NCCCCCO)ccc1OC
InChIInChI=1S/C15H23NO4/c1-3-20-14-11-12(7-8-13(14)19-2)15(18)16-9-5-4-6-10-17/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,16,18)
InChIKeyMIXDXOUNSWUFCP-UHFFFAOYSA-N
XLogP1.99
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.99
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

3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
3-chloro-4-ethoxy-N-(3-hydroxypropyl)benzamide
CID 98016868
3-ethoxy-4-methoxy-N-[3-(N-methylanilino)propyl]benzamide
CID 37315779
3-bromo-N-[8-[(3-bromo-4-ethoxybenzoyl)amino]octyl]-4-ethoxybenzamide
CID 17233431
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
CID 107318370
N-[5-(diethylamino)pentyl]-3,4-dimethoxybenzamide
CID 110441376
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
CID 103861912
N-[3-(diethylamino)propyl]-3,4-dimethoxybenzamide
CID 3340363
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethoxy-4-methoxybenzamide
CID 51153110
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
3-ethoxy-4-methoxy-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55863487

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide (CID 107319012) is 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide is CCOc1cc(C(=O)NCCCCCO)ccc1OC.
What is the InChIKey of 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide?
The InChIKey is MIXDXOUNSWUFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-20-14-11-12(7-8-13(14)19-2)15(18)16-9-5-4-6-10-17/h7-8,11,17H,3-6,9-10H2,1-2H3,(H,16,18).
What are the key properties of 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide?
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide is sourced from PubChem (CID 107319012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).