N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide

C16H25NO3 — CID 110437890

IUPACN-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1C(C)(C)C(=O)NCCCCCO
InChIInChI=1S/C16H25NO3/c1-16(2,13-9-5-6-10-14(13)20-3)15(19)17-11-7-4-8-12-18/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3,(H,17,19)
InChIKeyXVKSPXSXLJHRGR-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.25
Rot. Bonds8

About N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide

N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide (PubChem CID 110437890) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide
PubChem CID110437890
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide
SMILESCOc1ccccc1C(C)(C)C(=O)NCCCCCO
InChIInChI=1S/C16H25NO3/c1-16(2,13-9-5-6-10-14(13)20-3)15(19)17-11-7-4-8-12-18/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3,(H,17,19)
InChIKeyXVKSPXSXLJHRGR-UHFFFAOYSA-N
XLogP2.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(2-methoxyphenyl)-2-methylpropanoyl]amino]hexanoic acid
CID 119352357
N-(2-methoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437849
N-(2,2-dimethoxyethyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437902
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110437898
N-(5-hydroxypentyl)-2-(2-methoxyphenyl)propanamide
CID 20516010
N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 108525840
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438838
N-(4-hydroxybutyl)-2,3-dimethoxybenzamide
CID 106843372
N-(2,6-difluorophenyl)-2-(2-methoxyphenyl)-2-methylpropanamide
CID 110438890

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The IUPAC name of N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide (CID 110437890) is N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide.
What is the SMILES notation for N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The canonical SMILES for N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide is COc1ccccc1C(C)(C)C(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
The InChIKey is XVKSPXSXLJHRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2,13-9-5-6-10-14(13)20-3)15(19)17-11-7-4-8-12-18/h5-6,9-10,18H,4,7-8,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide?
N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-2-(2-methoxyphenyl)-2-methylpropanamide is sourced from PubChem (CID 110437890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).