N-formyl-N-(4-oxobutyl)butanamide

C9H15NO3 — CID 134173593

IUPACN-formyl-N-(4-oxobutyl)butanamide
SMILESCCCC(=O)N(C=O)CCCC=O
InChIInChI=1S/C9H15NO3/c1-2-5-9(13)10(8-12)6-3-4-7-11/h7-8H,2-6H2,1H3
InChIKeyQLZIZHKHYNKFHE-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.75
Rot. Bonds7

About N-formyl-N-(4-oxobutyl)butanamide

N-formyl-N-(4-oxobutyl)butanamide (PubChem CID 134173593) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N-formyl-N-(4-oxobutyl)butanamide.

Molecular Properties

Compound NameN-formyl-N-(4-oxobutyl)butanamide
PubChem CID134173593
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN-formyl-N-(4-oxobutyl)butanamide
SMILESCCCC(=O)N(C=O)CCCC=O
InChIInChI=1S/C9H15NO3/c1-2-5-9(13)10(8-12)6-3-4-7-11/h7-8H,2-6H2,1H3
InChIKeyQLZIZHKHYNKFHE-UHFFFAOYSA-N
XLogP0.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-formyl-N-(4-oxobutyl)butanamide?
The IUPAC name of N-formyl-N-(4-oxobutyl)butanamide (CID 134173593) is N-formyl-N-(4-oxobutyl)butanamide.
What is the SMILES notation for N-formyl-N-(4-oxobutyl)butanamide?
The canonical SMILES for N-formyl-N-(4-oxobutyl)butanamide is CCCC(=O)N(C=O)CCCC=O.
What is the InChIKey of N-formyl-N-(4-oxobutyl)butanamide?
The InChIKey is QLZIZHKHYNKFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-5-9(13)10(8-12)6-3-4-7-11/h7-8H,2-6H2,1H3.
What are the key properties of N-formyl-N-(4-oxobutyl)butanamide?
N-formyl-N-(4-oxobutyl)butanamide has a molecular weight of 185.22 g/mol, XLogP of 0.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-formyl-N-(4-oxobutyl)butanamide is sourced from PubChem (CID 134173593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).