4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide

C16H25NO4 — CID 103861912

IUPAC4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCC(C)CO)cc1OC
InChIInChI=1S/C16H25NO4/c1-4-21-14-8-7-13(10-15(14)20-3)16(19)17-9-5-6-12(2)11-18/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyZHMPVCIYNLHYHH-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.23
Rot. Bonds9

About 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide

4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide (PubChem CID 103861912) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
PubChem CID103861912
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCC(C)CO)cc1OC
InChIInChI=1S/C16H25NO4/c1-4-21-14-8-7-13(10-15(14)20-3)16(19)17-9-5-6-12(2)11-18/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyZHMPVCIYNLHYHH-UHFFFAOYSA-N
XLogP2.23
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.23
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

N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
2-[(4-ethoxy-3-methoxybenzoyl)amino]propanoic acid
CID 43092046
3,4-difluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861935
3,4-dimethoxy-N-octadecylbenzamide
CID 20530777
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide (CID 103861912) is 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide is CCOc1ccc(C(=O)NCCCC(C)CO)cc1OC.
What is the InChIKey of 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide?
The InChIKey is ZHMPVCIYNLHYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-4-21-14-8-7-13(10-15(14)20-3)16(19)17-9-5-6-12(2)11-18/h7-8,10,12,18H,4-6,9,11H2,1-3H3,(H,17,19).
What are the key properties of 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide?
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide has a molecular weight of 295.38 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide is sourced from PubChem (CID 103861912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).