N-(1-hydroxypentan-3-yl)-4-propoxybenzamide

C15H23NO3 — CID 115767380

IUPACN-(1-hydroxypentan-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(CC)CCO)cc1
InChIInChI=1S/C15H23NO3/c1-3-11-19-14-7-5-12(6-8-14)15(18)16-13(4-2)9-10-17/h5-8,13,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyJGNYXMAGKCMSHM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.37
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-4-propoxybenzamide

N-(1-hydroxypentan-3-yl)-4-propoxybenzamide (PubChem CID 115767380) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-propoxybenzamide
PubChem CID115767380
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(1-hydroxypentan-3-yl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)NC(CC)CCO)cc1
InChIInChI=1S/C15H23NO3/c1-3-11-19-14-7-5-12(6-8-14)15(18)16-13(4-2)9-10-17/h5-8,13,17H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKeyJGNYXMAGKCMSHM-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-hydroxy-2-[(4-propoxybenzoyl)amino]butanoic acid
CID 107822214
N-(1-hydroxypropan-2-yl)-4-propoxybenzamide
CID 43418970
4-butoxy-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103750873
[3-carboxy-2-[(4-propoxybenzoyl)amino]propyl]-trimethylazanium
CID 68742952
4-ethylsulfanyl-N-(1-hydroxypentan-3-yl)benzamide
CID 110000332
N-(1-hydroxypentan-3-yl)-4-(propan-2-yloxymethyl)benzamide
CID 115767414
4-ethoxy-N-(4-hydroxybutan-2-yl)benzamide
CID 81042787
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-propoxyphenyl)urea
CID 111453173
1-N-(2,2-dimethylpropyl)-4-N-(1-hydroxypentan-3-yl)benzene-1,4-dicarboxamide
CID 109479295
N-(1-hydroxypentan-3-yl)-6-methoxypyridine-3-carboxamide
CID 115767344
N-(1-bromobutan-2-yl)-4-ethoxybenzamide
CID 114307651
4-(2-amino-2-oxoethoxy)-N-[(2S)-1-hydroxybutan-2-yl]benzamide
CID 104981373

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4-propoxybenzamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-propoxybenzamide (CID 115767380) is N-(1-hydroxypentan-3-yl)-4-propoxybenzamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-propoxybenzamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-propoxybenzamide is CCCOc1ccc(C(=O)NC(CC)CCO)cc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-propoxybenzamide?
The InChIKey is JGNYXMAGKCMSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-3-11-19-14-7-5-12(6-8-14)15(18)16-13(4-2)9-10-17/h5-8,13,17H,3-4,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxypentan-3-yl)-4-propoxybenzamide?
N-(1-hydroxypentan-3-yl)-4-propoxybenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypentan-3-yl)-4-propoxybenzamide is sourced from PubChem (CID 115767380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).