N-ethyl-N-formyl-3,3-dimethylpentanamide

C10H19NO2 — CID 89228630

IUPACN-ethyl-N-formyl-3,3-dimethylpentanamide
SMILESCCN(C=O)C(=O)CC(C)(C)CC
InChIInChI=1S/C10H19NO2/c1-5-10(3,4)7-9(13)11(6-2)8-12/h8H,5-7H2,1-4H3
InChIKeyUEGJTDULBJCKBE-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.82
Rot. Bonds5

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

N-ethyl-N-formyl-3,3-dimethylpentanamide (PubChem CID 89228630) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-ethyl-N-formyl-3,3-dimethylpentanamide.

Molecular Properties

Compound NameN-ethyl-N-formyl-3,3-dimethylpentanamide
PubChem CID89228630
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-ethyl-N-formyl-3,3-dimethylpentanamide
SMILESCCN(C=O)C(=O)CC(C)(C)CC
InChIInChI=1S/C10H19NO2/c1-5-10(3,4)7-9(13)11(6-2)8-12/h8H,5-7H2,1-4H3
InChIKeyUEGJTDULBJCKBE-UHFFFAOYSA-N
XLogP1.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.82
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

ethane;N-ethyl-N-formyl-3,3-dimethylpentanamide
CID 145483087
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
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
3,3-dimethyl-N-propan-2-ylpentanamide
CID 89006014

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-formyl-3,3-dimethylpentanamide?
The IUPAC name of N-ethyl-N-formyl-3,3-dimethylpentanamide (CID 89228630) is N-ethyl-N-formyl-3,3-dimethylpentanamide.
What is the SMILES notation for N-ethyl-N-formyl-3,3-dimethylpentanamide?
The canonical SMILES for N-ethyl-N-formyl-3,3-dimethylpentanamide is CCN(C=O)C(=O)CC(C)(C)CC.
What is the InChIKey of N-ethyl-N-formyl-3,3-dimethylpentanamide?
The InChIKey is UEGJTDULBJCKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-10(3,4)7-9(13)11(6-2)8-12/h8H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-formyl-3,3-dimethylpentanamide?
N-ethyl-N-formyl-3,3-dimethylpentanamide has a molecular weight of 185.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-formyl-3,3-dimethylpentanamide is sourced from PubChem (CID 89228630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).