4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide

C14H24N2O2 — CID 65043131

IUPAC4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,6-3)16-12(17)13(11-15)7-9-18-10-8-13/h4-10H2,1-3H3,(H,16,17)
InChIKeyRVIXKLAUISYWCN-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds5

About 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide

4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide (PubChem CID 65043131) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
PubChem CID65043131
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C14H24N2O2/c1-4-14(5-2,6-3)16-12(17)13(11-15)7-9-18-10-8-13/h4-10H2,1-3H3,(H,16,17)
InChIKeyRVIXKLAUISYWCN-UHFFFAOYSA-N
XLogP2.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
CID 65043719
4-cyano-N-(1-methoxy-2-methylpropan-2-yl)oxane-4-carboxamide
CID 115619331
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
4-cyano-N-(3,3-dimethylbutan-2-yl)oxane-4-carboxamide
CID 113234659
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
N-(4-amino-4-oxobutan-2-yl)-4-cyanooxane-4-carboxamide
CID 115664806
1-cyano-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]cycloheptane-1-carboxamide
CID 107853097
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
4-cyano-N-piperidin-1-yloxane-4-carboxamide
CID 82843101

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide (CID 65043131) is 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide is CCC(CC)(CC)NC(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide?
The InChIKey is RVIXKLAUISYWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-14(5-2,6-3)16-12(17)13(11-15)7-9-18-10-8-13/h4-10H2,1-3H3,(H,16,17).
What are the key properties of 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide?
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 65043131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).