N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide

C14H18N2O3 — CID 61120396

IUPACN-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCC(C#N)(CC)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C14H18N2O3/c1-4-14(5-2,9-15)16-13(18)11-7-6-10(19-3)8-12(11)17/h6-8,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyXHGAFPNZDTXHNC-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.21
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide

N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide (PubChem CID 61120396) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
PubChem CID61120396
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
SMILESCCC(C#N)(CC)NC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C14H18N2O3/c1-4-14(5-2,9-15)16-13(18)11-7-6-10(19-3)8-12(11)17/h6-8,17H,4-5H2,1-3H3,(H,16,18)
InChIKeyXHGAFPNZDTXHNC-UHFFFAOYSA-N
XLogP2.21
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
N-(3-cyanopentan-3-yl)-3-hydroxypyridine-4-carboxamide
CID 81445991
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
CID 103844616
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025
N-[3-(bromomethyl)pentan-3-yl]-2-hydroxy-5-methoxybenzamide
CID 114315265
N-(1-amino-2,4-dimethylpentan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 115309726
N-(2,6-diethylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43824721
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-hydroxy-4-methoxybenzamide
CID 115595332

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide (CID 61120396) is N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide is CCC(C#N)(CC)NC(=O)c1ccc(OC)cc1O.
What is the InChIKey of N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide?
The InChIKey is XHGAFPNZDTXHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-14(5-2,9-15)16-13(18)11-7-6-10(19-3)8-12(11)17/h6-8,17H,4-5H2,1-3H3,(H,16,18).
What are the key properties of N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide?
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide has a molecular weight of 262.31 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 61120396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).