2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide

C19H38N2O2 — CID 166866622

IUPAC2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
SMILESCCC(CC(C)(C)C)C(=O)NCNC(=O)C(CC)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-9-14(11-18(3,4)5)16(22)20-13-21-17(23)15(10-2)12-19(6,7)8/h14-15H,9-13H2,1-8H3,(H,20,22)(H,21,23)
InChIKeyAWFPSGFGVXLCOF-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.10
Rot. Bonds8

About 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide

2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide (PubChem CID 166866622) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
PubChem CID166866622
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide
SMILESCCC(CC(C)(C)C)C(=O)NCNC(=O)C(CC)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-9-14(11-18(3,4)5)16(22)20-13-21-17(23)15(10-2)12-19(6,7)8/h14-15H,9-13H2,1-8H3,(H,20,22)(H,21,23)
InChIKeyAWFPSGFGVXLCOF-UHFFFAOYSA-N
XLogP4.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide with MolForge

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Related Compounds

2-ethylbutanoic acid;2-ethyl-N-[(2-ethylbutanoylamino)methyl]butanamide
CID 157432754
2-ethyl-N,4,4-trimethylpentanamide;propane
CID 144536587
2-ethyl-4,4-dimethyl-N-(4,4,4-trifluorobutyl)pentanamide
CID 163592368
2-[[2-(aminomethyl)butanoylamino]methyl]-4,4-dimethylpentanoic acid
CID 107475516
(4S)-4-chloro-2-ethyl-5,5-difluoro-4-methyl-N-propylpentanamide
CID 134548781
2-ethyl-N-[(2R)-2-hydroxypropyl]butanamide
CID 39236453
2-ethyl-N-(2-hydroxyphenyl)-4,4-dimethylpentanamide
CID 143326178
N-(3-bromo-2,2-dimethylpropyl)-2-ethylbutanamide
CID 115365004
2-ethyl-N-[3-(2-ethylbutanoylamino)-2-oxopropyl]butanamide
CID 71392094
2-ethyl-N-[2-(2-ethylhexanoylamino)ethyl]hexanamide
CID 4675082
2-tert-butyl-N-ethyl-4,4-dimethylpentanamide
CID 88561290
2-chloro-N-ethyl-4,4-dimethylpentanamide
CID 62966359

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide?
The IUPAC name of 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide (CID 166866622) is 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide.
What is the SMILES notation for 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide?
The canonical SMILES for 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide is CCC(CC(C)(C)C)C(=O)NCNC(=O)C(CC)CC(C)(C)C.
What is the InChIKey of 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide?
The InChIKey is AWFPSGFGVXLCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-9-14(11-18(3,4)5)16(22)20-13-21-17(23)15(10-2)12-19(6,7)8/h14-15H,9-13H2,1-8H3,(H,20,22)(H,21,23).
What are the key properties of 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide?
2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide has a molecular weight of 326.53 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[(2-ethyl-4,4-dimethylpentanoyl)amino]methyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 166866622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).