N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide

C15H28N2O3 — CID 171520136

IUPACN-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(C(=O)NCC(C)=O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-5-6-7-8-9-13(19)17-14(11(2)3)15(20)16-10-12(4)18/h11,14H,5-10H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyGTKAQMZHGYDVCI-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.80
Rot. Bonds10

About N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide

N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide (PubChem CID 171520136) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide
PubChem CID171520136
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide
SMILESCCCCCCC(=O)NC(C(=O)NCC(C)=O)C(C)C
InChIInChI=1S/C15H28N2O3/c1-5-6-7-8-9-13(19)17-14(11(2)3)15(20)16-10-12(4)18/h11,14H,5-10H2,1-4H3,(H,16,20)(H,17,19)
InChIKeyGTKAQMZHGYDVCI-UHFFFAOYSA-N
XLogP1.80
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2-methyl-4-oxopentan-3-yl]decanamide
CID 158440925
2-(hexadecanoylamino)-3-methylbutanoic acid
CID 3687398
(2S)-3-methyl-2-(tetracosanoylamino)butanoic acid
CID 171117118
(2R)-3-methyl-2-(nonanoylamino)butanoic acid
CID 79010632
N-[(2S)-1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]dodecanamide
CID 15610303
sodium;hydride;(2S)-3-methyl-2-(tetradecanoylamino)butanoic acid
CID 174755034
(2S)-3-methyl-N-[(2S)-3-methyl-1-(octadecylamino)-1-oxobutan-2-yl]-2-(pent-4-enoylamino)butanamide
CID 101122501
dimethyl-[3-[[(2S)-3-methyl-2-(undec-10-enoylamino)butanoyl]amino]propyl]-octadecylazanium
CID 102353259
dimethyl-[6-[[(2S)-3-methyl-2-(undec-10-enoylamino)butanoyl]amino]hexyl]-octadecylazanium
CID 102353260
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)dodecanamide
CID 65448032
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)nonanamide
CID 65450288
N-[(2R)-3-methyl-1-(octadecylamino)-1-oxobutan-2-yl]-11-pyridin-1-ium-1-ylundecanamide
CID 132839555

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide (CID 171520136) is N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide is CCCCCCC(=O)NC(C(=O)NCC(C)=O)C(C)C.
What is the InChIKey of N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide?
The InChIKey is GTKAQMZHGYDVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-7-8-9-13(19)17-14(11(2)3)15(20)16-10-12(4)18/h11,14H,5-10H2,1-4H3,(H,16,20)(H,17,19).
What are the key properties of N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide?
N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide has a molecular weight of 284.40 g/mol, XLogP of 1.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(2-oxopropylamino)butan-2-yl]heptanamide is sourced from PubChem (CID 171520136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).