2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium

C18H32N3O3+ — CID 7218508

IUPAC2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium
SMILESCCCCCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1ccoc1
InChIInChI=1S/C18H31N3O3/c1-4-5-6-7-11-21(18(23)16-9-14-24-15-16)12-8-17(22)19-10-13-20(2)3/h9,14-15H,4-8,10-13H2,1-3H3,(H,19,22)/p+1
InChIKeyJDJOKAMCONIHRH-UHFFFAOYSA-O
MW338.47 g/mol
LogP0.95
Rot. Bonds12

About 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium

2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium (PubChem CID 7218508) has the molecular formula C18H32N3O3+ and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium
PubChem CID7218508
Molecular FormulaC18H32N3O3+
Molecular Weight338.47 g/mol
Exact Mass338.24
IUPAC Name2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium
SMILESCCCCCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1ccoc1
InChIInChI=1S/C18H31N3O3/c1-4-5-6-7-11-21(18(23)16-9-14-24-15-16)12-8-17(22)19-10-13-20(2)3/h9,14-15H,4-8,10-13H2,1-3H3,(H,19,22)/p+1
InChIKeyJDJOKAMCONIHRH-UHFFFAOYSA-O
XLogP0.95
TPSA66.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium 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

N-[3-(butylamino)-3-oxopropyl]-N-(3-methoxypropyl)furan-3-carboxamide
CID 3449289
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-pentylfuran-3-carboxamide
CID 4191902
N-butyl-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]furan-3-carboxamide
CID 4168501
N-[3-(butylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)furan-3-carboxamide
CID 42779623
furan-3-carbonyl(hexyl)sulfamic acid
CID 67595409
N-decylfuran-3-carboxamide
CID 117059205
N-butyl-N-methylfuran-3-carboxamide
CID 110855744
N-pentylfuran-3-carboxamide
CID 91139562
N-(3-methylbutyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]furan-3-carboxamide
CID 4192735
N-[3-(benzylamino)-3-oxopropyl]-N-(2-methoxyethyl)furan-3-carboxamide
CID 42779663
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-N-(2-methylpropyl)furan-3-carboxamide
CID 7330670
N-[3-(hexylamino)-3-oxopropyl]-2-methyl-N-propylfuran-3-carboxamide
CID 42779801

Frequently Asked Questions

What is the IUPAC name of 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium?
The IUPAC name of 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium (CID 7218508) is 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium?
The canonical SMILES for 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium is CCCCCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1ccoc1.
What is the InChIKey of 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium?
The InChIKey is JDJOKAMCONIHRH-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H31N3O3/c1-4-5-6-7-11-21(18(23)16-9-14-24-15-16)12-8-17(22)19-10-13-20(2)3/h9,14-15H,4-8,10-13H2,1-3H3,(H,19,22)/p+1.
What are the key properties of 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium?
2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium has a molecular weight of 338.47 g/mol, XLogP of 0.95, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[furan-3-carbonyl(hexyl)amino]propanoylamino]ethyl-dimethylazanium is sourced from PubChem (CID 7218508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).