3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide

C14H20N2O4 — CID 59345696

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
SMILESC[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O4/c1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyYLYCPTOQNDLVIY-NSHDSACASA-N
MW280.32 g/mol
LogP0.42
Rot. Bonds9

About 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide

3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide (PubChem CID 59345696) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
PubChem CID59345696
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
SMILESC[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O4/c1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyYLYCPTOQNDLVIY-NSHDSACASA-N
XLogP0.42
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxoheptyl)propanamide
CID 21299483
3-(2,5-dioxopyrrol-1-yl)-N-(4-methyl-5-oxohexyl)propanamide
CID 21299484
3-(2,5-dioxopyrrol-1-yl)-N-(4-methylpentyl)propanamide
CID 21299487
N-(5-acetamido-6-oxohexyl)-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 21299688
3-(2,5-dioxopyrrol-1-yl)-N-[6-oxo-5-(2-oxopropylamino)hexyl]propanamide
CID 21299690
3-(2,5-dioxopyrrol-1-yl)-N-(5-methyl-6-oxo-6-thiophosphorosohexyl)propanamide
CID 23526541
6-[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]-2-methylhexanamide
CID 23526544
6-acetamido-2-(acetamidomethyl)-N-[(2,5-dioxopyrrol-1-yl)methyl]hexanamide
CID 57543360
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[(5-methyl-6-oxohexyl)amino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 57646399
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxoheptyl]propanamide
CID 57655087
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-methylhexanamide
CID 58112370
4-(2,5-dioxopyrrol-1-yl)-N-(5-methylhexyl)butanamide
CID 58371221

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide (CID 59345696) is 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide is C[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
The InChIKey is YLYCPTOQNDLVIY-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N2O4/c1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide has a molecular weight of 280.32 g/mol, XLogP of 0.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide is sourced from PubChem (CID 59345696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).