2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide

C11H22N2O2 — CID 20789927

IUPAC2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide
SMILESCCC(C)C(=O)NCNC(=O)C(C)CC
InChIInChI=1S/C11H22N2O2/c1-5-8(3)10(14)12-7-13-11(15)9(4)6-2/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyZBUNYNGAONRVIM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.27
Rot. Bonds6

About 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide

2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide (PubChem CID 20789927) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide
PubChem CID20789927
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide
SMILESCCC(C)C(=O)NCNC(=O)C(C)CC
InChIInChI=1S/C11H22N2O2/c1-5-8(3)10(14)12-7-13-11(15)9(4)6-2/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyZBUNYNGAONRVIM-UHFFFAOYSA-N
XLogP1.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Isobutylidenedipivalamide
CID 132235
1-Diethylacetyl-5-ethylbiuret
CID 11971856
Butanamide, 2-ethyl-N-[[[(methylamino)carbonyl]amino]carbonyl]-
CID 567308
N-(butylcarbamoylcarbamoyl)-2-ethylbutanamide
CID 13718879
N-[bis(propanoylamino)methyl]propanamide
CID 15326915
N-[bis(butanoylamino)methyl]butanamide
CID 44719771
1-Ethyl-3-(4-methylpentanoyl)urea
CID 85860124
1-(4-Methylpentanoyl)-3-propylurea
CID 90814076
2-ethyl-N-[[ethyl(methyl)carbamoyl]carbamoyl]butanamide
CID 134915390
2-ethyl-N-(methylcarbamoyl)butanamide
CID 237696
1-Dimethylaminocarbonyl-3-(2-ethyl-butanoyl)-urea
CID 551862
N-[(2,2-dimethylpropanoylamino)methyl]-2,2-dimethylpropanamide
CID 3786773

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide?
The IUPAC name of 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide (CID 20789927) is 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide?
The canonical SMILES for 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide is CCC(C)C(=O)NCNC(=O)C(C)CC.
What is the InChIKey of 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide?
The InChIKey is ZBUNYNGAONRVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-8(3)10(14)12-7-13-11(15)9(4)6-2/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide?
2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide has a molecular weight of 214.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylbutanoylamino)methyl]butanamide is sourced from PubChem (CID 20789927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).