N-ethyl-3,5,5-trimethylhexanamide

C11H23NO — CID 88875392

IUPACN-ethyl-3,5,5-trimethylhexanamide
SMILESCCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-12-10(13)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyKPTUNAVKISPXNJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.58
Rot. Bonds4

About N-ethyl-3,5,5-trimethylhexanamide

N-ethyl-3,5,5-trimethylhexanamide (PubChem CID 88875392) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-3,5,5-trimethylhexanamide.

Molecular Properties

Compound NameN-ethyl-3,5,5-trimethylhexanamide
PubChem CID88875392
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-3,5,5-trimethylhexanamide
SMILESCCNC(=O)CC(C)CC(C)(C)C
InChIInChI=1S/C11H23NO/c1-6-12-10(13)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyKPTUNAVKISPXNJ-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-3,5,5-trimethylhexanamide 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

N-(2-Methylpropyl)hexanimidic acid
CID 239248
Hexanamide, 2-ethyl-N-methyl-
CID 14216
N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
5-(tert-butyl)hexahydro-2H-azepin-2-one
CID 98432
N-butylhexanamide
CID 252522
Valeramide, N-(2-(dimethylamino)ethyl)-2-propyl-
CID 200807
4-Methylcaprolactam
CID 19242
Valeramide, N,2-dipropyl-
CID 200919
Valeramide, N-butyl-2-propyl-
CID 200921
5,5-Dimethylazepan-2-one
CID 10796842
4,4,6,6-Tetramethylazepan-2-one
CID 12689792
N-butylcyclohexanecarboxamide
CID 3544722

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,5,5-trimethylhexanamide?
The IUPAC name of N-ethyl-3,5,5-trimethylhexanamide (CID 88875392) is N-ethyl-3,5,5-trimethylhexanamide.
What is the SMILES notation for N-ethyl-3,5,5-trimethylhexanamide?
The canonical SMILES for N-ethyl-3,5,5-trimethylhexanamide is CCNC(=O)CC(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-3,5,5-trimethylhexanamide?
The InChIKey is KPTUNAVKISPXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-6-12-10(13)7-9(2)8-11(3,4)5/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of N-ethyl-3,5,5-trimethylhexanamide?
N-ethyl-3,5,5-trimethylhexanamide has a molecular weight of 185.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,5,5-trimethylhexanamide is sourced from PubChem (CID 88875392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).