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

C18H30N2O3 — CID 145076872

IUPAC6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
SMILESCCC(C)CCCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O3/c1-3-15(2)9-6-7-13-19-16(21)10-5-4-8-14-20-17(22)11-12-18(20)23/h11-12,15H,3-10,13-14H2,1-2H3,(H,19,21)
InChIKeyNNYQJQVOSRXWKJ-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.80
Rot. Bonds12

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

6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide (PubChem CID 145076872) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
PubChem CID145076872
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide
SMILESCCC(C)CCCCNC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N2O3/c1-3-15(2)9-6-7-13-19-16(21)10-5-4-8-14-20-17(22)11-12-18(20)23/h11-12,15H,3-10,13-14H2,1-2H3,(H,19,21)
InChIKeyNNYQJQVOSRXWKJ-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-ethylhexanamide
CID 18724284
4-(2,5-dioxopyrrol-1-yl)-N-hexylbutanamide
CID 90175962
6-[6-[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoylamino]-N-methylhexanamide
CID 20719178
2-amino-6-(2,5-dioxopyrrol-1-yl)-N-[5-(hexylamino)-5-oxopentyl]hexanamide;ethane
CID 142928631
4-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutyl)butanamide
CID 121327484
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
N-[(5R)-5-[bis[2-(diethylamino)ethyl]amino]hexyl]-4-(2,5-dioxopyrrol-1-yl)butanamide
CID 58654612
2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethylcarbamic acid
CID 121412813
16-[3-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propylamino]-16-oxohexadecane-1-sulfonic acid
CID 71468255
5-(2,5-dioxopyrrol-1-yl)-N-ethylpentanamide;ethane
CID 145076729
(2S)-2,6-bis[4-(2,5-dioxopyrrol-1-yl)butanoylamino]hexanoic acid
CID 149461686
acetamide;3-(2,5-dioxopyrrol-1-yl)-N-[(5S)-5-methyl-6-oxohexyl]propanamide
CID 91395797

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide (CID 145076872) is 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide is CCC(C)CCCCNC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide?
The InChIKey is NNYQJQVOSRXWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-3-15(2)9-6-7-13-19-16(21)10-5-4-8-14-20-17(22)11-12-18(20)23/h11-12,15H,3-10,13-14H2,1-2H3,(H,19,21).
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide?
6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide has a molecular weight of 322.45 g/mol, XLogP of 2.80, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)-N-(5-methylheptyl)hexanamide is sourced from PubChem (CID 145076872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).