3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide

C12H24N2O2 — CID 4581577

IUPAC3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide
SMILESCC(C)CC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)7-11(15)13-5-6-14-12(16)8-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyUQJZEQKPBNPPKJ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.31
Rot. Bonds7

About 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide

3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide (PubChem CID 4581577) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide
PubChem CID4581577
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide
SMILESCC(C)CC(=O)NCCNC(=O)CC(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)7-11(15)13-5-6-14-12(16)8-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyUQJZEQKPBNPPKJ-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.31
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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide (CID 4581577) is 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide is CC(C)CC(=O)NCCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide?
The InChIKey is UQJZEQKPBNPPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)7-11(15)13-5-6-14-12(16)8-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide?
3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(3-methylbutanoylamino)ethyl]butanamide is sourced from PubChem (CID 4581577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).