N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide

C15H26N2O4 — CID 159896807

IUPACN-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide
SMILESCCCCNC(=O)C(CC(C)=O)N(C)C(=O)CCC(C)=O
InChIInChI=1S/C15H26N2O4/c1-5-6-9-16-15(21)13(10-12(3)19)17(4)14(20)8-7-11(2)18/h13H,5-10H2,1-4H3,(H,16,21)
InChIKeyIHOVIUTZQGFZCZ-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.08
Rot. Bonds10

About N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide

N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide (PubChem CID 159896807) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide.

Molecular Properties

Compound NameN-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide
PubChem CID159896807
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide
SMILESCCCCNC(=O)C(CC(C)=O)N(C)C(=O)CCC(C)=O
InChIInChI=1S/C15H26N2O4/c1-5-6-9-16-15(21)13(10-12(3)19)17(4)14(20)8-7-11(2)18/h13H,5-10H2,1-4H3,(H,16,21)
InChIKeyIHOVIUTZQGFZCZ-UHFFFAOYSA-N
XLogP1.08
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[1-[3-(methylamino)propylamino]-1,4-dioxopentan-2-yl]heptanamide
CID 171836170
2-[butanoyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide;ethane
CID 145117042
2-[acetyl(methyl)amino]-N-[2-(dimethylamino)ethyl]-4-oxopentanamide
CID 130218970
6-(2,4-dioxocyclopentyl)sulfanyl-N-methyl-N-[1-[2-(methylamino)ethylamino]-1,4-dioxopentan-2-yl]hexanamide
CID 67989749
N-[2-(dimethylamino)ethyl]-4-methyl-2-[methyl(propanoyl)amino]pent-4-enamide
CID 154679932
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
N-[1-[2-(dimethylamino)ethylamino]-1,4-dioxopentan-2-yl]-6-(2,5-dioxopyrrolidin-3-yl)sulfanyl-N-methylhexanamide
CID 147189988
2-ethyl-N-(6-oxoheptyl)butanamide
CID 130267698
4-[2-(methylamino)ethylamino]-3-[methyl(6-sulfanylhexanoyl)amino]-4-oxobutanoic acid
CID 123487806
trimethyl-[2-[[4-methyl-2-[methyl(6-sulfanylhexanoyl)amino]pent-4-enoyl]amino]ethyl]azanium
CID 153363417
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide?
The IUPAC name of N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide (CID 159896807) is N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide.
What is the SMILES notation for N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide?
The canonical SMILES for N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide is CCCCNC(=O)C(CC(C)=O)N(C)C(=O)CCC(C)=O.
What is the InChIKey of N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide?
The InChIKey is IHOVIUTZQGFZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-6-9-16-15(21)13(10-12(3)19)17(4)14(20)8-7-11(2)18/h13H,5-10H2,1-4H3,(H,16,21).
What are the key properties of N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide?
N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide has a molecular weight of 298.38 g/mol, XLogP of 1.08, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[methyl(4-oxopentanoyl)amino]-4-oxopentanamide is sourced from PubChem (CID 159896807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).