3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium

C19H32N3O4+ — CID 7323847

IUPAC3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium
SMILESCCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C19H31N3O4/c1-5-11-22(12-6-2)13-7-10-20-18(23)19(24)21-16-14-15(25-3)8-9-17(16)26-4/h8-9,14H,5-7,10-13H2,1-4H3,(H,20,23)(H,21,24)/p+1
InChIKeyAKFWKNKTXQSIDD-UHFFFAOYSA-O
MW366.48 g/mol
LogP0.85
Rot. Bonds11

About 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium

3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium (PubChem CID 7323847) has the molecular formula C19H32N3O4+ and a molecular weight of 366.48 g/mol. Its IUPAC name is 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium.

Molecular Properties

Compound Name3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium
PubChem CID7323847
Molecular FormulaC19H32N3O4+
Molecular Weight366.48 g/mol
Exact Mass366.24
IUPAC Name3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium
SMILESCCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC
InChIInChI=1S/C19H31N3O4/c1-5-11-22(12-6-2)13-7-10-20-18(23)19(24)21-16-14-15(25-3)8-9-17(16)26-4/h8-9,14H,5-7,10-13H2,1-4H3,(H,20,23)(H,21,24)/p+1
InChIKeyAKFWKNKTXQSIDD-UHFFFAOYSA-O
XLogP0.85
TPSA81.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium 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'-(2,5-dimethoxyphenyl)-N-(3-formamidopropyl)oxamide
CID 108511953
N'-(2,4-dimethoxyphenyl)-N-propyloxamide
CID 44995967
N'-(2,5-dimethoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44995669
N'-(2,5-dimethoxyphenyl)-N-(2-methylpropyl)oxamide
CID 44995689
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
N'-(2,5-dimethoxyphenyl)-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]oxamide
CID 108512004
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 108986643
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium?
The IUPAC name of 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium (CID 7323847) is 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium.
What is the SMILES notation for 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium?
The canonical SMILES for 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium is CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1cc(OC)ccc1OC.
What is the InChIKey of 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium?
The InChIKey is AKFWKNKTXQSIDD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O4/c1-5-11-22(12-6-2)13-7-10-20-18(23)19(24)21-16-14-15(25-3)8-9-17(16)26-4/h8-9,14H,5-7,10-13H2,1-4H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium?
3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium has a molecular weight of 366.48 g/mol, XLogP of 0.85, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2,5-dimethoxyanilino)-2-oxoacetyl]amino]propyl-dipropylazanium is sourced from PubChem (CID 7323847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).