3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide

C15H20N2O2 — CID 103722738

IUPAC3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide
SMILESCCCC(CCO)CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-2-4-12(7-8-18)11-17-15(19)14-6-3-5-13(9-14)10-16/h3,5-6,9,12,18H,2,4,7-8,11H2,1H3,(H,17,19)
InChIKeyVKLZEUVOTRLBFM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds7

About 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide

3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide (PubChem CID 103722738) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide
PubChem CID103722738
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide
SMILESCCCC(CCO)CNC(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H20N2O2/c1-2-4-12(7-8-18)11-17-15(19)14-6-3-5-13(9-14)10-16/h3,5-6,9,12,18H,2,4,7-8,11H2,1H3,(H,17,19)
InChIKeyVKLZEUVOTRLBFM-UHFFFAOYSA-N
XLogP2.09
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-[2-(2-hydroxyethyl)pentyl]-3-propan-2-yloxybenzamide
CID 106115912
3-cyano-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102906072
N-(2-bromopropyl)-3-cyanobenzamide
CID 114308516
3-cyano-N-(2-ethoxypropyl)benzamide
CID 113241599
5-[(3-cyanobenzoyl)amino]-4-methylpentanoic acid
CID 82009055
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343
2-amino-3-[(3-cyanobenzoyl)amino]propanoic acid
CID 67154339
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
2-[(3-cyanobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242361

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide?
The IUPAC name of 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide (CID 103722738) is 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide is CCCC(CCO)CNC(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide?
The InChIKey is VKLZEUVOTRLBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-4-12(7-8-18)11-17-15(19)14-6-3-5-13(9-14)10-16/h3,5-6,9,12,18H,2,4,7-8,11H2,1H3,(H,17,19).
What are the key properties of 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide?
3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide has a molecular weight of 260.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(2-hydroxyethyl)pentyl]benzamide is sourced from PubChem (CID 103722738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).