3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide

C14H28N2O2 — CID 3527935

IUPAC3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide
SMILESCC(C)CC(=O)NCCCCNC(=O)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)9-13(17)15-7-5-6-8-16-14(18)10-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyLCXLLFGXPJNYJJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.09
Rot. Bonds9

About 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide

3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide (PubChem CID 3527935) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide
PubChem CID3527935
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide
SMILESCC(C)CC(=O)NCCCCNC(=O)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-11(2)9-13(17)15-7-5-6-8-16-14(18)10-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyLCXLLFGXPJNYJJ-UHFFFAOYSA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.09
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-butylbutanamide
CID 347960
Butanamide, N-(2-methylpropyl)-
CID 346250
N-Isopentylacetamide
CID 98643
n-Butyl-2-methylpropanamide
CID 221968
N-butan-2-yl-3-methylbutanamide
CID 234387
N-[4-(propanoylamino)butyl]propanamide
CID 2167047
n-(2-Methylbutyl)acetamide
CID 291446
N-(Carbamoylmethyl)-2-acetamido-3-methylbutanamide
CID 644829
2-ethyl-N-[2-(2-ethylbutanoylamino)ethyl]butanamide
CID 228244
N-[2-(butanoylamino)ethyl]butanamide
CID 280045
N-[6-(butanoylamino)hexyl]butanamide
CID 5133798
Propanamide, N-isobutyl-2,2-dimethyl
CID 528633

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide (CID 3527935) is 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide is CC(C)CC(=O)NCCCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide?
The InChIKey is LCXLLFGXPJNYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)9-13(17)15-7-5-6-8-16-14(18)10-12(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide?
3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide has a molecular weight of 256.39 g/mol, XLogP of 2.09, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(3-methylbutanoylamino)butyl]butanamide is sourced from PubChem (CID 3527935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).