2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide

C11H18N2O4 — CID 123938959

IUPAC2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
SMILESCCC(=O)C(=O)NCCCNC(=O)C(=O)CC
InChIInChI=1S/C11H18N2O4/c1-3-8(14)10(16)12-6-5-7-13-11(17)9(15)4-2/h3-7H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyWSBQXZQFQPSEDL-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.43
Rot. Bonds8

About 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide

2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide (PubChem CID 123938959) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide.

Molecular Properties

Compound Name2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
PubChem CID123938959
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide
SMILESCCC(=O)C(=O)NCCCNC(=O)C(=O)CC
InChIInChI=1S/C11H18N2O4/c1-3-8(14)10(16)12-6-5-7-13-11(17)9(15)4-2/h3-7H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyWSBQXZQFQPSEDL-UHFFFAOYSA-N
XLogP-0.43
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-oxobutanamide
CID 141125375
N-[(Z)-15-hydroxypentadec-5-enyl]-2-oxobutanamide
CID 159151259
2-oxo-N-tetradecyloctadecanamide
CID 87948435
2-oxo-N-(4-oxooctyl)hexadecanamide
CID 44562729
N,N'-diheptyloxamide
CID 3417538
8-methyl-N-(5-methyl-4-oxohexyl)-2,7-dioxononanamide
CID 158566536
methyl 4-(2-oxohexadecanoylamino)butanoate
CID 11360688
ethane;N-methyl-2-oxobutanamide
CID 143884065
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[7-(pentanoylamino)heptyl]pentanamide
CID 4139658
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide?
The IUPAC name of 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide (CID 123938959) is 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide.
What is the SMILES notation for 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide?
The canonical SMILES for 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide is CCC(=O)C(=O)NCCCNC(=O)C(=O)CC.
What is the InChIKey of 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide?
The InChIKey is WSBQXZQFQPSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-8(14)10(16)12-6-5-7-13-11(17)9(15)4-2/h3-7H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide?
2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide has a molecular weight of 242.27 g/mol, XLogP of -0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(2-oxobutanoylamino)propyl]butanamide is sourced from PubChem (CID 123938959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).