4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide

C14H24N2O3 — CID 103725573

IUPAC4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C14H24N2O3/c1-2-3-12(4-7-17)10-16-13(18)14(11-15)5-8-19-9-6-14/h12,17H,2-10H2,1H3,(H,16,18)
InChIKeyXASWVWYFFIAWJE-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.22
Rot. Bonds7

About 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide

4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide (PubChem CID 103725573) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
PubChem CID103725573
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
SMILESCCCC(CCO)CNC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C14H24N2O3/c1-2-3-12(4-7-17)10-16-13(18)14(11-15)5-8-19-9-6-14/h12,17H,2-10H2,1H3,(H,16,18)
InChIKeyXASWVWYFFIAWJE-UHFFFAOYSA-N
XLogP1.22
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 103722771
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
1-amino-N-[2-(2-hydroxyethyl)pentyl]cyclohexane-1-carboxamide
CID 106116803
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
N-[2-(2-hydroxyethyl)pentyl]-2-(methylamino)acetamide;hydrochloride
CID 120704813
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
1-(aminomethyl)-N-[2-(2-hydroxyethyl)pentyl]cyclobutane-1-carboxamide
CID 106116673
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
2-cyano-N-[2-(2-hydroxyethyl)pentyl]pentanamide
CID 106116827
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
4-amino-N-(2-ethylhexyl)oxane-4-carboxamide
CID 113280697

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide (CID 103725573) is 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide is CCCC(CCO)CNC(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide?
The InChIKey is XASWVWYFFIAWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-2-3-12(4-7-17)10-16-13(18)14(11-15)5-8-19-9-6-14/h12,17H,2-10H2,1H3,(H,16,18).
What are the key properties of 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide?
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide is sourced from PubChem (CID 103725573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).