4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide

C13H26N2O2 — CID 3067798

IUPAC4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide
SMILESCCCC(=O)NCCCC(=O)NC(C)(C)CC
InChIInChI=1S/C13H26N2O2/c1-5-8-11(16)14-10-7-9-12(17)15-13(3,4)6-2/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyPHGSPVZMEYQHGD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.99
Rot. Bonds8

About 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide

4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide (PubChem CID 3067798) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide
PubChem CID3067798
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide
SMILESCCCC(=O)NCCCC(=O)NC(C)(C)CC
InChIInChI=1S/C13H26N2O2/c1-5-8-11(16)14-10-7-9-12(17)15-13(3,4)6-2/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyPHGSPVZMEYQHGD-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.99
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 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide?
The IUPAC name of 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide (CID 3067798) is 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide.
What is the SMILES notation for 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide?
The canonical SMILES for 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide is CCCC(=O)NCCCC(=O)NC(C)(C)CC.
What is the InChIKey of 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide?
The InChIKey is PHGSPVZMEYQHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-8-11(16)14-10-7-9-12(17)15-13(3,4)6-2/h5-10H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide?
4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-(2-methylbutan-2-yl)butanamide is sourced from PubChem (CID 3067798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).