N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

C15H23NO3 — CID 65041292

IUPACN-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C15H23NO3/c1-5-15(6-2,7-3)16-14(18)12-10-11(19-4)8-9-13(12)17/h8-10,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyRRPAMZJSOQENMH-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.10
Rot. Bonds6

About N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide

N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (PubChem CID 65041292) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
PubChem CID65041292
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
SMILESCCC(CC)(CC)NC(=O)c1cc(OC)ccc1O
InChIInChI=1S/C15H23NO3/c1-5-15(6-2,7-3)16-14(18)12-10-11(19-4)8-9-13(12)17/h8-10,17H,5-7H2,1-4H3,(H,16,18)
InChIKeyRRPAMZJSOQENMH-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(bromomethyl)pentan-3-yl]-2-hydroxy-5-methoxybenzamide
CID 114315265
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
CID 107845895
N-(1-chloro-3-methylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 106168602
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,5-dimethoxybenzamide
CID 107867479
2-fluoro-N-[3-(hydroxymethyl)pentan-3-yl]-4-methoxybenzamide
CID 113341083
N-(4-ethylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60716192
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61120396
2-hydroxy-5-methoxy-N-(2-methylpropoxy)benzamide
CID 115410347
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
2-hydroxy-N-(3-iodopropyl)-5-methoxybenzamide
CID 114504277
(2S)-2-[(2-hydroxy-5-methoxybenzoyl)amino]-3-methylpentanoic acid
CID 61174665
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide (CID 65041292) is N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is CCC(CC)(CC)NC(=O)c1cc(OC)ccc1O.
What is the InChIKey of N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
The InChIKey is RRPAMZJSOQENMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-15(6-2,7-3)16-14(18)12-10-11(19-4)8-9-13(12)17/h8-10,17H,5-7H2,1-4H3,(H,16,18).
What are the key properties of N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide?
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide has a molecular weight of 265.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 65041292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).