N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide

C15H23NO4 — CID 107318370

IUPACN-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCCCCO)cc(OC)c1C
InChIInChI=1S/C15H23NO4/c1-11-13(19-2)9-12(10-14(11)20-3)15(18)16-7-5-4-6-8-17/h9-10,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyQYHXMRRZKWOKTC-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.90
Rot. Bonds8

About N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide

N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 107318370) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID107318370
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCCCCO)cc(OC)c1C
InChIInChI=1S/C15H23NO4/c1-11-13(19-2)9-12(10-14(11)20-3)15(18)16-7-5-4-6-8-17/h9-10,17H,4-8H2,1-3H3,(H,16,18)
InChIKeyQYHXMRRZKWOKTC-UHFFFAOYSA-N
XLogP1.90
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.90
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-chloro-N-(5-hydroxypentyl)-4,5-dimethoxybenzamide
CID 107318683
3-ethoxy-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107319012
3,5-dichloro-N-(5-hydroxypentyl)-4-methoxybenzamide
CID 107318553
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
4-bromo-N-hexyl-3,5-dimethoxybenzamide
CID 32646709
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethoxy-4-methylbenzamide
CID 103772396
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
3,4-diethoxy-N-(5-hydroxypentyl)benzamide
CID 107319057
4-bromo-N-(2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 43392944
3,5-dimethoxy-4-methyl-N-prop-2-ynylbenzamide
CID 30600070
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide (CID 107318370) is N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCCCCCO)cc(OC)c1C.
What is the InChIKey of N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is QYHXMRRZKWOKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-13(19-2)9-12(10-14(11)20-3)15(18)16-7-5-4-6-8-17/h9-10,17H,4-8H2,1-3H3,(H,16,18).
What are the key properties of N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide?
N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 107318370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).