2-acetamido-2-ethyl-N-methylbutanamide;hydrate

C9H20N2O3 — CID 45120258

IUPAC2-acetamido-2-ethyl-N-methylbutanamide;hydrate
SMILESCCC(CC)(NC(C)=O)C(=O)NC.O
InChIInChI=1S/C9H18N2O2.H2O/c1-5-9(6-2,8(13)10-4)11-7(3)12;/h5-6H2,1-4H3,(H,10,13)(H,11,12);1H2
InChIKeyXEWYYLRBFSGKFG-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.40
Rot. Bonds4

About 2-acetamido-2-ethyl-N-methylbutanamide;hydrate

2-acetamido-2-ethyl-N-methylbutanamide;hydrate (PubChem CID 45120258) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-acetamido-2-ethyl-N-methylbutanamide;hydrate.

Molecular Properties

Compound Name2-acetamido-2-ethyl-N-methylbutanamide;hydrate
PubChem CID45120258
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-acetamido-2-ethyl-N-methylbutanamide;hydrate
SMILESCCC(CC)(NC(C)=O)C(=O)NC.O
InChIInChI=1S/C9H18N2O2.H2O/c1-5-9(6-2,8(13)10-4)11-7(3)12;/h5-6H2,1-4H3,(H,10,13)(H,11,12);1H2
InChIKeyXEWYYLRBFSGKFG-UHFFFAOYSA-N
XLogP-0.40
TPSA89.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-acetamido-N,2-dimethylbutanamide
CID 71329562
2-ethyl-N-methyl-2-(propan-2-ylamino)butanamide;molecular hydrogen
CID 169244569
4-acetamido-N,2,2,4-tetramethylpentanamide
CID 130219137
2-acetamido-2-ethyl-4-methylhexanoic acid
CID 63702394
2-(aminomethyl)-N,2-dimethylbutanamide
CID 114290214
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
2-hydroxy-N,2-dimethylbutanamide
CID 22213750
2-acetamido-2-ethylbutanoic acid;1,2,3-trimethylbenzene
CID 67885235
ethyl (2S)-2-acetamido-2-ethyl-4-methylpentanoate
CID 12042577
2-(2,2-dimethylpropanoylamino)-N,2-dimethylbutanamide
CID 88557657
ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
CID 158401112
N-[2-(2-acetamido-1-cyanobutan-2-yl)sulfanyl-1-cyanobutan-2-yl]acetamide
CID 88708753

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-ethyl-N-methylbutanamide;hydrate?
The IUPAC name of 2-acetamido-2-ethyl-N-methylbutanamide;hydrate (CID 45120258) is 2-acetamido-2-ethyl-N-methylbutanamide;hydrate.
What is the SMILES notation for 2-acetamido-2-ethyl-N-methylbutanamide;hydrate?
The canonical SMILES for 2-acetamido-2-ethyl-N-methylbutanamide;hydrate is CCC(CC)(NC(C)=O)C(=O)NC.O.
What is the InChIKey of 2-acetamido-2-ethyl-N-methylbutanamide;hydrate?
The InChIKey is XEWYYLRBFSGKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.H2O/c1-5-9(6-2,8(13)10-4)11-7(3)12;/h5-6H2,1-4H3,(H,10,13)(H,11,12);1H2.
What are the key properties of 2-acetamido-2-ethyl-N-methylbutanamide;hydrate?
2-acetamido-2-ethyl-N-methylbutanamide;hydrate has a molecular weight of 204.27 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-ethyl-N-methylbutanamide;hydrate is sourced from PubChem (CID 45120258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).