N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide

C16H25N3O4 — CID 146428245

IUPACN-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
SMILESNCCCCC(C=O)NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25N3O4/c17-10-4-3-6-13(12-20)18-14(21)7-2-1-5-11-19-15(22)8-9-16(19)23/h8-9,12-13H,1-7,10-11,17H2,(H,18,21)
InChIKeyLTJMCOLNKNSBKU-UHFFFAOYSA-N
MW323.39 g/mol
LogP0.28
Rot. Bonds12

About N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide

N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide (PubChem CID 146428245) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide.

Molecular Properties

Compound NameN-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
PubChem CID146428245
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide
SMILESNCCCCC(C=O)NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H25N3O4/c17-10-4-3-6-13(12-20)18-14(21)7-2-1-5-11-19-15(22)8-9-16(19)23/h8-9,12-13H,1-7,10-11,17H2,(H,18,21)
InChIKeyLTJMCOLNKNSBKU-UHFFFAOYSA-N
XLogP0.28
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.28
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'}

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Related Compounds

4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-5-oxopentanoic acid
CID 142750404
(2S)-6-amino-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 69465675
N-[1-[(8-amino-2,2-dimethyl-3-oxooctan-4-yl)amino]-1-oxopropan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 155014287
6-(2,5-dioxopyrrol-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 123154320
1-(5-aminopentyl)pyrrole-2,5-dione;dihydrochloride
CID 172909654
6-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutan-2-yl)hexanamide;formic acid
CID 169179798
(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide
CID 135254438
6-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-1-[[5-(methylamino)-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]hexanamide;formamide;[4-(methylamino)phenyl]methanol
CID 145050800
(2R,5S,6R)-2-(4-aminobutyl)-N-[(2S)-1-deuterio-1-oxopropan-2-yl]-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-6-hydroxy-4-oxoheptanamide
CID 158270971
6-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 122490998
5-(2,5-dioxopyrrol-1-yl)pentanehydrazide;hydrochloride
CID 91667264
N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
CID 145435395

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
The IUPAC name of N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide (CID 146428245) is N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide.
What is the SMILES notation for N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
The canonical SMILES for N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide is NCCCCC(C=O)NC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
The InChIKey is LTJMCOLNKNSBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4/c17-10-4-3-6-13(12-20)18-14(21)7-2-1-5-11-19-15(22)8-9-16(19)23/h8-9,12-13H,1-7,10-11,17H2,(H,18,21).
What are the key properties of N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide?
N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide has a molecular weight of 323.39 g/mol, XLogP of 0.28, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-oxohexan-2-yl)-6-(2,5-dioxopyrrol-1-yl)hexanamide is sourced from PubChem (CID 146428245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).