N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide

C13H22N2O2 — CID 109479015

IUPACN-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
SMILESCCC(CCO)NC(=O)CCCn1cccc1
InChIInChI=1S/C13H22N2O2/c1-2-12(7-11-16)14-13(17)6-5-10-15-8-3-4-9-15/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3,(H,14,17)
InChIKeyRAQPNUXKUHSDLO-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.55
Rot. Bonds8

About N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide

N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide (PubChem CID 109479015) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
PubChem CID109479015
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide
SMILESCCC(CCO)NC(=O)CCCn1cccc1
InChIInChI=1S/C13H22N2O2/c1-2-12(7-11-16)14-13(17)6-5-10-15-8-3-4-9-15/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3,(H,14,17)
InChIKeyRAQPNUXKUHSDLO-UHFFFAOYSA-N
XLogP1.55
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypentan-3-yl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 115735166
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxypentan-3-yl)pent-4-ynamide
CID 107262073
N-(1-hydroxypentan-3-yl)-4,4-dimethylpentanamide
CID 109479134
N-(1-hydroxypentan-3-yl)-3-(1,2,4-triazol-1-yl)propanamide
CID 115735088
N-[2-(1-hydroxypentan-3-ylamino)-2-oxoethyl]butanamide
CID 109479267
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
5-amino-N-pentan-3-ylhexanamide
CID 82848944
N-(1-hydroxypentan-3-yl)-3-(3-methylphenyl)propanamide
CID 115767191
N-(1-cyanobutan-2-yl)-4-hydroxybutanamide
CID 79193062
N-[(3R)-1-hydroxypentan-3-yl]-2-(4-iodophenyl)acetamide
CID 99832158
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide?
The IUPAC name of N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide (CID 109479015) is N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide?
The canonical SMILES for N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide is CCC(CCO)NC(=O)CCCn1cccc1.
What is the InChIKey of N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide?
The InChIKey is RAQPNUXKUHSDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-2-12(7-11-16)14-13(17)6-5-10-15-8-3-4-9-15/h3-4,8-9,12,16H,2,5-7,10-11H2,1H3,(H,14,17).
What are the key properties of N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide?
N-(1-hydroxypentan-3-yl)-4-pyrrol-1-ylbutanamide has a molecular weight of 238.33 g/mol, XLogP of 1.55, 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-pyrrol-1-ylbutanamide is sourced from PubChem (CID 109479015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).