2-ethyl-N,2-dimethylheptanamide

C11H23NO — CID 15655387

IUPAC2-ethyl-N,2-dimethylheptanamide
SMILESCCCCCC(C)(CC)C(=O)NC
InChIInChI=1S/C11H23NO/c1-5-7-8-9-11(3,6-2)10(13)12-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyFDFPSNISSMYYDS-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.73
Rot. Bonds6

About 2-ethyl-N,2-dimethylheptanamide

2-ethyl-N,2-dimethylheptanamide (PubChem CID 15655387) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethylheptanamide.

Molecular Properties

Compound Name2-ethyl-N,2-dimethylheptanamide
PubChem CID15655387
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-ethyl-N,2-dimethylheptanamide
SMILESCCCCCC(C)(CC)C(=O)NC
InChIInChI=1S/C11H23NO/c1-5-7-8-9-11(3,6-2)10(13)12-4/h5-9H2,1-4H3,(H,12,13)
InChIKeyFDFPSNISSMYYDS-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethylheptanamide?
The IUPAC name of 2-ethyl-N,2-dimethylheptanamide (CID 15655387) is 2-ethyl-N,2-dimethylheptanamide.
What is the SMILES notation for 2-ethyl-N,2-dimethylheptanamide?
The canonical SMILES for 2-ethyl-N,2-dimethylheptanamide is CCCCCC(C)(CC)C(=O)NC.
What is the InChIKey of 2-ethyl-N,2-dimethylheptanamide?
The InChIKey is FDFPSNISSMYYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-8-9-11(3,6-2)10(13)12-4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of 2-ethyl-N,2-dimethylheptanamide?
2-ethyl-N,2-dimethylheptanamide has a molecular weight of 185.31 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethylheptanamide is sourced from PubChem (CID 15655387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).