ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide

C12H25NO2 — CID 145483087

IUPACethane;N-ethyl-N-formyl-3,3-dimethylpentanamide
SMILESCC.CCN(C=O)C(=O)CC(C)(C)CC
InChIInChI=1S/C10H19NO2.C2H6/c1-5-10(3,4)7-9(13)11(6-2)8-12;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyZIHKYZPXRKAGRB-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.84
Rot. Bonds5

About ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide

ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide (PubChem CID 145483087) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide.

Molecular Properties

Compound Nameethane;N-ethyl-N-formyl-3,3-dimethylpentanamide
PubChem CID145483087
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethane;N-ethyl-N-formyl-3,3-dimethylpentanamide
SMILESCC.CCN(C=O)C(=O)CC(C)(C)CC
InChIInChI=1S/C10H19NO2.C2H6/c1-5-10(3,4)7-9(13)11(6-2)8-12;1-2/h8H,5-7H2,1-4H3;1-2H3
InChIKeyZIHKYZPXRKAGRB-UHFFFAOYSA-N
XLogP2.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 89228630
N,N,3,3-tetramethylpentanamide
CID 23394541
N-methoxy-N,3,3-trimethylpentanamide
CID 129061137
N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
CID 130272423
methyl 3,3-dimethylpentanoate
CID 3757207
3,3-dimethylpentane;ethane;methanol
CID 144527462
N-(5-amino-2,2,5-trimethylhexan-3-yl)-N,3,3-trimethylpentanamide
CID 123903893
N-tert-butyl-N-ethyl-4-hydroxy-3,3-dimethylbutanamide
CID 58033935
N-(3-chlorophenyl)-3,3-dimethyl-N-pentan-2-ylpentanamide
CID 71107637
(diacetylamino) 3,3-dimethylpentanoate
CID 157202172
(2S)-2-[acetyl(ethyl)amino]-2-ethylbutanedioic acid
CID 54047371
N-(2-ethylpyrimidin-4-yl)-3,3-dimethyl-N-pentan-2-ylpentanamide
CID 71107648

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide?
The IUPAC name of ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide (CID 145483087) is ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide.
What is the SMILES notation for ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide?
The canonical SMILES for ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide is CC.CCN(C=O)C(=O)CC(C)(C)CC.
What is the InChIKey of ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide?
The InChIKey is ZIHKYZPXRKAGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C2H6/c1-5-10(3,4)7-9(13)11(6-2)8-12;1-2/h8H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide?
ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide has a molecular weight of 215.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide is sourced from PubChem (CID 145483087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).