N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide

C20H36N2O4 — CID 58331795

IUPACN-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)C(C)CC
InChIInChI=1S/C20H36N2O4/c1-8-10-17(22-20(5,6)7)18(25)19(26)21-12-15(24)11-16(14(4)23)13(3)9-2/h13,16-17,22H,8-12H2,1-7H3,(H,21,26)
InChIKeyGQPFIUNBWZDGEL-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.44
Rot. Bonds12

About N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide

N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide (PubChem CID 58331795) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide
PubChem CID58331795
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC NameN-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)C(C)CC
InChIInChI=1S/C20H36N2O4/c1-8-10-17(22-20(5,6)7)18(25)19(26)21-12-15(24)11-16(14(4)23)13(3)9-2/h13,16-17,22H,8-12H2,1-7H3,(H,21,26)
InChIKeyGQPFIUNBWZDGEL-UHFFFAOYSA-N
XLogP2.44
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide?
The IUPAC name of N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide (CID 58331795) is N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide?
The canonical SMILES for N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide is CCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)C(C)CC.
What is the InChIKey of N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide?
The InChIKey is GQPFIUNBWZDGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-8-10-17(22-20(5,6)7)18(25)19(26)21-12-15(24)11-16(14(4)23)13(3)9-2/h13,16-17,22H,8-12H2,1-7H3,(H,21,26).
What are the key properties of N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide?
N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide has a molecular weight of 368.52 g/mol, XLogP of 2.44, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide is sourced from PubChem (CID 58331795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).