7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide

C15H28N2O3 — CID 146964176

IUPAC7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide
SMILESCC(=O)CCC(CCC(C)=O)(CCC(N)=O)NC(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)17-15(8-5-12(3)18,9-6-13(4)19)10-7-14(16)20/h11,17H,5-10H2,1-4H3,(H2,16,20)
InChIKeyROMQQSCQWFFFIH-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.73
Rot. Bonds11

About 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide

7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide (PubChem CID 146964176) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide.

Molecular Properties

Compound Name7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide
PubChem CID146964176
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide
SMILESCC(=O)CCC(CCC(C)=O)(CCC(N)=O)NC(C)C
InChIInChI=1S/C15H28N2O3/c1-11(2)17-15(8-5-12(3)18,9-6-13(4)19)10-7-14(16)20/h11,17H,5-10H2,1-4H3,(H2,16,20)
InChIKeyROMQQSCQWFFFIH-UHFFFAOYSA-N
XLogP1.73
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide?
The IUPAC name of 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide (CID 146964176) is 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide.
What is the SMILES notation for 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide?
The canonical SMILES for 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide is CC(=O)CCC(CCC(C)=O)(CCC(N)=O)NC(C)C.
What is the InChIKey of 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide?
The InChIKey is ROMQQSCQWFFFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(2)17-15(8-5-12(3)18,9-6-13(4)19)10-7-14(16)20/h11,17H,5-10H2,1-4H3,(H2,16,20).
What are the key properties of 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide?
7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide has a molecular weight of 284.40 g/mol, XLogP of 1.73, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-4-(3-oxobutyl)-4-(propan-2-ylamino)octanamide is sourced from PubChem (CID 146964176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).