N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide

C13H24N2O3 — CID 157115895

IUPACN-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide
SMILESCC(C)NCC(=O)CCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)12(17)8-15-13(18)6-5-11(16)7-14-10(3)4/h9-10,14H,5-8H2,1-4H3,(H,15,18)
InChIKeyXAQMSAORWYIPNN-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.68
Rot. Bonds9

About N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide

N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide (PubChem CID 157115895) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound NameN-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide
PubChem CID157115895
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide
SMILESCC(C)NCC(=O)CCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C13H24N2O3/c1-9(2)12(17)8-15-13(18)6-5-11(16)7-14-10(3)4/h9-10,14H,5-8H2,1-4H3,(H,15,18)
InChIKeyXAQMSAORWYIPNN-UHFFFAOYSA-N
XLogP0.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide?
The IUPAC name of N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide (CID 157115895) is N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide.
What is the SMILES notation for N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide?
The canonical SMILES for N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide is CC(C)NCC(=O)CCC(=O)NCC(=O)C(C)C.
What is the InChIKey of N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide?
The InChIKey is XAQMSAORWYIPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-9(2)12(17)8-15-13(18)6-5-11(16)7-14-10(3)4/h9-10,14H,5-8H2,1-4H3,(H,15,18).
What are the key properties of N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide?
N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide has a molecular weight of 256.35 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 157115895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).