6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide

C26H50N6O3 — CID 174362490

IUPAC6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide
SMILESCN(C)CCCN(C)CCCCCC(=O)NCCCNC(=O)CCCCC1CCC2NC(=O)NC12
InChIInChI=1S/C26H50N6O3/c1-31(2)18-10-20-32(3)19-8-4-5-12-23(33)27-16-9-17-28-24(34)13-7-6-11-21-14-15-22-25(21)30-26(35)29-22/h21-22,25H,4-20H2,1-3H3,(H,27,33)(H,28,34)(H2,29,30,35)
InChIKeyQJLLOFDOTWXEIX-UHFFFAOYSA-N
MW494.73 g/mol
LogP2.07
Rot. Bonds19

About 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide

6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide (PubChem CID 174362490) has the molecular formula C26H50N6O3 and a molecular weight of 494.73 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide
PubChem CID174362490
Molecular FormulaC26H50N6O3
Molecular Weight494.73 g/mol
Exact Mass494.39
IUPAC Name6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide
SMILESCN(C)CCCN(C)CCCCCC(=O)NCCCNC(=O)CCCCC1CCC2NC(=O)NC12
InChIInChI=1S/C26H50N6O3/c1-31(2)18-10-20-32(3)19-8-4-5-12-23(33)27-16-9-17-28-24(34)13-7-6-11-21-14-15-22-25(21)30-26(35)29-22/h21-22,25H,4-20H2,1-3H3,(H,27,33)(H,28,34)(H2,29,30,35)
InChIKeyQJLLOFDOTWXEIX-UHFFFAOYSA-N
XLogP2.07
TPSA105.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.73
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide with MolForge

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Related Compounds

5-[(3aS,6aR)-2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl]-N-methylpentanamide
CID 59847767
N-[3-(dimethylamino)propyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 126553030
N-[4-(dimethylamino)butyl]-N'-[3-[2-[2-[3-[5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]propoxy]ethoxy]ethoxy]propyl]pentanediamide
CID 130178766
N-(3-hydrazinylpropyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 123461079
N-butyl-6-[(4R)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]hexanamide
CID 177242331
N-octyl-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 85258617
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-hexylpentanamide
CID 10520289
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[6-(3-sulfanylpropanoylamino)hexyl]pentanamide
CID 59979135
N-[6-[[(E)-but-2-enoyl]amino]hexyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 178169161
6-[5-[(3aS,4S,6aR)-2,5,5-trioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide
CID 126576512
(3aR,4R,6aS)-4-(6-methyl-5-oxononyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-2-one
CID 138644385
N-(6-hydroxyhexyl)-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
CID 4094367

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide?
The IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide (CID 174362490) is 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide?
The canonical SMILES for 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide is CN(C)CCCN(C)CCCCCC(=O)NCCCNC(=O)CCCCC1CCC2NC(=O)NC12.
What is the InChIKey of 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide?
The InChIKey is QJLLOFDOTWXEIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N6O3/c1-31(2)18-10-20-32(3)19-8-4-5-12-23(33)27-16-9-17-28-24(34)13-7-6-11-21-14-15-22-25(21)30-26(35)29-22/h21-22,25H,4-20H2,1-3H3,(H,27,33)(H,28,34)(H2,29,30,35).
What are the key properties of 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide?
6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide has a molecular weight of 494.73 g/mol, XLogP of 2.07, 19 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-methylamino]-N-[3-[5-(2-oxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[d]imidazol-4-yl)pentanoylamino]propyl]hexanamide is sourced from PubChem (CID 174362490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).