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

C19H34N2O4 — CID 58331696

IUPACN-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)C(C)C
InChIInChI=1S/C19H34N2O4/c1-8-9-16(21-19(5,6)7)17(24)18(25)20-11-14(23)10-15(12(2)3)13(4)22/h12,15-16,21H,8-11H2,1-7H3,(H,20,25)
InChIKeySGDITWXUBPYTJI-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.05
Rot. Bonds11

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

N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide (PubChem CID 58331696) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide.

Molecular Properties

Compound NameN-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide
PubChem CID58331696
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC NameN-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)C(C)C
InChIInChI=1S/C19H34N2O4/c1-8-9-16(21-19(5,6)7)17(24)18(25)20-11-14(23)10-15(12(2)3)13(4)22/h12,15-16,21H,8-11H2,1-7H3,(H,20,25)
InChIKeySGDITWXUBPYTJI-UHFFFAOYSA-N
XLogP2.05
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetyl-5-methyl-2-oxoheptyl)-3-(tert-butylamino)-2-oxohexanamide
CID 58331795
3-(tert-butylamino)-N-[4-[(2-methylpropan-2-yl)oxymethyl]-2,5-dioxohexyl]-2-oxohexanamide
CID 58331834
3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 58363651
3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide
CID 58331756
N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide;N-[5-(benzylamino)-2,5-dioxo-4-phenylpentyl]-3-(tert-butylamino)-2-oxohexanamide;2-benzyl-5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxopentanamide;4-(tert-butylamino)-5-cyclobutylpentane-2,3-dione;3-(tert-butylamino)-N-cyclopropyl-2,2-difluorohexanamide;3-(tert-butylamino)-N-(2,5-dioxo-4-phenylhexyl)-2-oxohexanamide;4-(tert-butylamino)heptane-2,3-dione;5-[[3-(tert-butylamino)-2-oxohexanoyl]amino]-4-oxo-2-propan-2-ylpentanamide;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 161400656
3-(tert-butylamino)pentan-2-one
CID 123205051
3-(tert-butylamino)-1-(3,3-dimethylazetidin-1-yl)hexane-1,2-dione
CID 58331873
4-(tert-butylamino)-5-oxo-N-(2-oxopropyl)hexanamide
CID 164982954
5-(tert-butylamino)-1,11-dihydroxy-2,10-bis(hydroxymethyl)undecane-4,8-dione
CID 157158562
(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 161234197
2-(tert-butylamino)-N-(2-oxooctan-3-yl)heptanamide
CID 134332061
(3S)-3-methyl-2-oxohexanamide
CID 145466724

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide?
The IUPAC name of N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide (CID 58331696) is N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide.
What is the SMILES notation for N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide?
The canonical SMILES for N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide is CCCC(NC(C)(C)C)C(=O)C(=O)NCC(=O)CC(C(C)=O)C(C)C.
What is the InChIKey of N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide?
The InChIKey is SGDITWXUBPYTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-8-9-16(21-19(5,6)7)17(24)18(25)20-11-14(23)10-15(12(2)3)13(4)22/h12,15-16,21H,8-11H2,1-7H3,(H,20,25).
What are the key properties of N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide?
N-(4-acetyl-5-methyl-2-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide has a molecular weight of 354.49 g/mol, XLogP of 2.05, 11 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-oxohexyl)-3-(tert-butylamino)-2-oxohexanamide is sourced from PubChem (CID 58331696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).