sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane

C16H33N2NaO2 — CID 171621434

IUPACsodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane
SMILESCCC.CNC(=O)C(NC(=O)CC(C)C)C(C)C.[H][C-]=C.[Na+]
InChIInChI=1S/C11H22N2O2.C3H8.C2H3.Na/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5;1-3-2;1-2;/h7-8,10H,6H2,1-5H3,(H,12,15)(H,13,14);3H2,1-2H3;1H,2H2;/q;;-1;+1
InChIKeyAENFCJHZCYYSNZ-UHFFFAOYSA-N
MW308.44 g/mol
LogP-0.06
Rot. Bonds5

About sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane

sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane (PubChem CID 171621434) has the molecular formula C16H33N2NaO2 and a molecular weight of 308.44 g/mol. Its IUPAC name is sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane.

Molecular Properties

Compound Namesodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane
PubChem CID171621434
Molecular FormulaC16H33N2NaO2
Molecular Weight308.44 g/mol
Exact Mass308.24
IUPAC Namesodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane
SMILESCCC.CNC(=O)C(NC(=O)CC(C)C)C(C)C.[H][C-]=C.[Na+]
InChIInChI=1S/C11H22N2O2.C3H8.C2H3.Na/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5;1-3-2;1-2;/h7-8,10H,6H2,1-5H3,(H,12,15)(H,13,14);3H2,1-2H3;1H,2H2;/q;;-1;+1
InChIKeyAENFCJHZCYYSNZ-UHFFFAOYSA-N
XLogP-0.06
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethane;molecular hydrogen
CID 169106352
N,3-dimethyl-2-[[2-[methyl(sulfanyl)amino]acetyl]amino]butanamide;propane
CID 170585957
3-methyl-N-[2-(methylamino)ethyl]-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 119504149
5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 146517470
N-[(2S)-1-aminopropan-2-yl]-3-methyl-2-(3-methylbutanoylamino)butanamide;hydrochloride
CID 120509012
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
(2S)-N-[(2S,3S)-2-hydroxy-5-methylhexan-3-yl]-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]hexanamide
CID 58057427
3-methyl-2-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbutanamide
CID 119454087
3-methyl-2-(3-methylbutanoylamino)-N-[4-(pyrazol-1-ylmethyl)phenyl]butanamide
CID 55970952
(2S)-3-methyl-2-(3-methylbutanoylamino)pentanamide
CID 87725663
ethyl (3R,4R)-3-hydroxy-6-methyl-4-[[(2R)-3-methyl-2-[[(2R)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoate
CID 56845744
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280

Frequently Asked Questions

What is the IUPAC name of sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?
The IUPAC name of sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane (CID 171621434) is sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane.
What is the SMILES notation for sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?
The canonical SMILES for sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane is CCC.CNC(=O)C(NC(=O)CC(C)C)C(C)C.[H][C-]=C.[Na+].
What is the InChIKey of sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?
The InChIKey is AENFCJHZCYYSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.C3H8.C2H3.Na/c1-7(2)6-9(14)13-10(8(3)4)11(15)12-5;1-3-2;1-2;/h7-8,10H,6H2,1-5H3,(H,12,15)(H,13,14);3H2,1-2H3;1H,2H2;/q;;-1;+1.
What are the key properties of sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane?
sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane has a molecular weight of 308.44 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethene;propane is sourced from PubChem (CID 171621434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).