N-[2-(butanoylamino)ethyl]-3-methylbutanamide

C11H22N2O2 — CID 108570913

IUPACN-[2-(butanoylamino)ethyl]-3-methylbutanamide
SMILESCCCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-5-10(14)12-6-7-13-11(15)8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQHGYDLLRWDTWJO-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.07
Rot. Bonds7

About N-[2-(butanoylamino)ethyl]-3-methylbutanamide

N-[2-(butanoylamino)ethyl]-3-methylbutanamide (PubChem CID 108570913) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[2-(butanoylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)ethyl]-3-methylbutanamide
PubChem CID108570913
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-[2-(butanoylamino)ethyl]-3-methylbutanamide
SMILESCCCC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C11H22N2O2/c1-4-5-10(14)12-6-7-13-11(15)8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)
InChIKeyQHGYDLLRWDTWJO-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-methylbutanamide
CID 129177572
N-[2-(3-methylbutanoylamino)ethyl]dodecanamide
CID 90261922
N-[2-(3-methoxypropanoylamino)ethyl]-3-methylbutanamide
CID 108538534
4,4-dimethyl-N-[2-(3-methylbutanoylamino)ethyl]pentanamide
CID 135196463
3-methyl-N-[2-[3-(2-methylpropylsulfanyl)propanoylamino]ethyl]butanamide
CID 166977554
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
N-[2-(2-hydroxypropylamino)ethyl]butanamide
CID 104593451
N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 108570927
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
N-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethyl]tetradecanamide
CID 156529774
N-[2-[(2-methoxyacetyl)amino]ethyl]-3-methylbutanamide
CID 108538544

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(butanoylamino)ethyl]-3-methylbutanamide (CID 108570913) is N-[2-(butanoylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(butanoylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(butanoylamino)ethyl]-3-methylbutanamide is CCCC(=O)NCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-(butanoylamino)ethyl]-3-methylbutanamide?
The InChIKey is QHGYDLLRWDTWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-5-10(14)12-6-7-13-11(15)8-9(2)3/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of N-[2-(butanoylamino)ethyl]-3-methylbutanamide?
N-[2-(butanoylamino)ethyl]-3-methylbutanamide has a molecular weight of 214.31 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 108570913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).