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

C16H25N3O5 — CID 91395797

IUPACacetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
SMILESCC(N)=O.C[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O4.C2H5NO/c1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20;1-2(3)4/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,18);1H3,(H2,3,4)/t11-;/m0./s1
InChIKeyXRXRJNUVVQFZQK-MERQFXBCSA-N
MW339.39 g/mol
LogP-0.09
Rot. Bonds9

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

acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide (PubChem CID 91395797) has the molecular formula C16H25N3O5 and a molecular weight of 339.39 g/mol. Its IUPAC name is acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide.

Molecular Properties

Compound Nameacetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
PubChem CID91395797
Molecular FormulaC16H25N3O5
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Nameacetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
SMILESCC(N)=O.C[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C14H20N2O4.C2H5NO/c1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20;1-2(3)4/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,18);1H3,(H2,3,4)/t11-;/m0./s1
InChIKeyXRXRJNUVVQFZQK-MERQFXBCSA-N
XLogP-0.09
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[[(5S)-5-methyl-6-oxohexyl]amino]-2-oxoethoxy]ethoxy]ethyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide;3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide;[(2S)-6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-1-oxohexan-2-yl]azanide;ethane;methane;1-(3-oxobutyl)pyrrole-2,5-dione
CID 159587121
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-(methylamino)-6-oxoheptyl]propanamide
CID 58587501
6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-propylhexanamide
CID 70965533
2-acetamido-6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanamide;2-acetamido-3-sulfanylpropanamide
CID 162166379
3-(2,5-dioxopyrrol-1-yl)-N-[5-(ethylamino)-6-oxoheptyl]propanamide
CID 21299485
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
CID 145076872
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-(methylamino)-6-oxo-6-thiophosphorosohexyl]propanamide;6-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-2-(methylamino)hexanamide
CID 90738060
3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-(methylamino)-6-oxo-6-thiophosphorosohexyl]propanamide
CID 58587498
N-[(2R)-5-(carbamoylamino)pentan-2-yl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 146490463
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
6-[[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]acetyl]amino]-2-(methylamino)hexanamide
CID 20710719
3-(2,5-dioxopyrrol-1-yl)-N-[3-(trihydroxy-λ4-sulfanyl)propyl]propanamide
CID 163893072

Frequently Asked Questions

What is the IUPAC name of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
The IUPAC name of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide (CID 91395797) is acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide.
What is the SMILES notation for acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
The canonical SMILES for acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide is CC(N)=O.C[C@H](C=O)CCCCNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
The InChIKey is XRXRJNUVVQFZQK-MERQFXBCSA-N. The full InChI is InChI=1S/C14H20N2O4.C2H5NO/c1-11(10-17)4-2-3-8-15-12(18)7-9-16-13(19)5-6-14(16)20;1-2(3)4/h5-6,10-11H,2-4,7-9H2,1H3,(H,15,18);1H3,(H2,3,4)/t11-;/m0./s1.
What are the key properties of acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide?
acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide has a molecular weight of 339.39 g/mol, XLogP of -0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide is sourced from PubChem (CID 91395797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).