N-ethyl-2,2-dimethylheptanamide

C11H23NO — CID 168939290

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

About N-ethyl-2,2-dimethylheptanamide

N-ethyl-2,2-dimethylheptanamide (PubChem CID 168939290) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-2,2-dimethylheptanamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethylheptanamide
PubChem CID168939290
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-2,2-dimethylheptanamide
SMILESCCCCCC(C)(C)C(=O)NCC
InChIInChI=1S/C11H23NO/c1-5-7-8-9-11(3,4)10(13)12-6-2/h5-9H2,1-4H3,(H,12,13)
InChIKeyORMHVYDFRNUYSP-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'}

Analyze N-ethyl-2,2-dimethylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-oxidodecanamide
CID 141061443
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
N,2,2-trimethyloctadecanamide
CID 158817445
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
N,2,2-trimethylhexanamide
CID 87705334
2,2-dimethyl-N-(pyridin-4-ylmethyl)heptanamide
CID 135208415
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
2,2-dimethyldodecanoyl chloride
CID 15656432
copper(1+);2,2-dimethylheptanoate
CID 159491834
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethylheptanamide?
The IUPAC name of N-ethyl-2,2-dimethylheptanamide (CID 168939290) is N-ethyl-2,2-dimethylheptanamide.
What is the SMILES notation for N-ethyl-2,2-dimethylheptanamide?
The canonical SMILES for N-ethyl-2,2-dimethylheptanamide is CCCCCC(C)(C)C(=O)NCC.
What is the InChIKey of N-ethyl-2,2-dimethylheptanamide?
The InChIKey is ORMHVYDFRNUYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-7-8-9-11(3,4)10(13)12-6-2/h5-9H2,1-4H3,(H,12,13).
What are the key properties of N-ethyl-2,2-dimethylheptanamide?
N-ethyl-2,2-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 N-ethyl-2,2-dimethylheptanamide is sourced from PubChem (CID 168939290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).