2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide

C13H22N2O2 — CID 114113812

IUPAC2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NC1(C)CCCOC1
InChIInChI=1S/C13H22N2O2/c1-4-13(5-2,9-14)11(16)15-12(3)7-6-8-17-10-12/h4-8,10H2,1-3H3,(H,15,16)
InChIKeyJECMSHHHRGZQNN-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.00
Rot. Bonds4

About 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide

2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide (PubChem CID 114113812) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide.

Molecular Properties

Compound Name2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide
PubChem CID114113812
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide
SMILESCCC(C#N)(CC)C(=O)NC1(C)CCCOC1
InChIInChI=1S/C13H22N2O2/c1-4-13(5-2,9-14)11(16)15-12(3)7-6-8-17-10-12/h4-8,10H2,1-3H3,(H,15,16)
InChIKeyJECMSHHHRGZQNN-UHFFFAOYSA-N
XLogP2.00
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
CID 103899257
(3-methyloxan-3-yl)urea
CID 103895709
2-cyano-2-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]butanamide
CID 113450296
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
N-(2-methylbutan-2-yl)-2-[(3-methyloxan-3-yl)amino]acetamide
CID 114113576
2,2-dimethyl-3-[(3-methyloxan-3-yl)carbamoylamino]propanoic acid
CID 114114304
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
1-(3-methyloxan-3-yl)-3-propylthiourea
CID 103895749
N-(3-methyloxan-3-yl)-2-propan-2-yloxyacetamide
CID 103896995
2-cyano-2-methyl-N-(1-methylcyclopentyl)propanamide
CID 64687039
1-[[(3-methyloxan-3-yl)carbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 114114284
2-[(3-methyloxan-3-yl)carbamoylamino]hexanoic acid
CID 114114265

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide?
The IUPAC name of 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide (CID 114113812) is 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide.
What is the SMILES notation for 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide?
The canonical SMILES for 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide is CCC(C#N)(CC)C(=O)NC1(C)CCCOC1.
What is the InChIKey of 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide?
The InChIKey is JECMSHHHRGZQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-13(5-2,9-14)11(16)15-12(3)7-6-8-17-10-12/h4-8,10H2,1-3H3,(H,15,16).
What are the key properties of 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide?
2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide has a molecular weight of 238.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-ethyl-N-(3-methyloxan-3-yl)butanamide is sourced from PubChem (CID 114113812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).