N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide

C16H25NO3 — CID 106289382

IUPACN-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
SMILESCCCC(C)(O)CNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H25NO3/c1-5-9-16(4,19)11-17-15(18)13-7-6-8-14(10-13)20-12(2)3/h6-8,10,12,19H,5,9,11H2,1-4H3,(H,17,18)
InChIKeyXEPPETLPVVMWIQ-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.75
Rot. Bonds7

About N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide

N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide (PubChem CID 106289382) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
PubChem CID106289382
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC NameN-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide
SMILESCCCC(C)(O)CNC(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C16H25NO3/c1-5-9-16(4,19)11-17-15(18)13-7-6-8-14(10-13)20-12(2)3/h6-8,10,12,19H,5,9,11H2,1-4H3,(H,17,18)
InChIKeyXEPPETLPVVMWIQ-UHFFFAOYSA-N
XLogP2.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,2-dimethylpentyl)-3-propan-2-yloxybenzamide
CID 106140510
N-(2-hydroxy-2,4-dimethylpentyl)-3-propoxybenzamide
CID 66178761
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
N-(2-hydroxy-2-methylbutyl)-4-propan-2-yloxybenzamide
CID 65114317
3-ethoxy-N-(2-hydroxy-2,3-dimethylbutyl)benzamide
CID 111484140
3-hydroxy-3-methyl-4-[(3-propoxybenzoyl)amino]butanoic acid
CID 66001127
N-(2-hydroxy-2-methyl-4-phenylbutyl)-4-propan-2-yloxybenzamide
CID 90498496
N-(2-hydroxy-2-methylpentyl)quinoxaline-6-carboxamide
CID 103713237
3,4-dichloro-N-(2-hydroxy-2-methylpentyl)benzamide
CID 113240344
3-hydroxy-N-(2-hydroxy-2,5-dimethylhexyl)benzamide
CID 110025600
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide (CID 106289382) is N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide is CCCC(C)(O)CNC(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide?
The InChIKey is XEPPETLPVVMWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-9-16(4,19)11-17-15(18)13-7-6-8-14(10-13)20-12(2)3/h6-8,10,12,19H,5,9,11H2,1-4H3,(H,17,18).
What are the key properties of N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide?
N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide has a molecular weight of 279.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpentyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 106289382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).