dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium

C15H25N2O4+ — CID 2315963

IUPACdimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
SMILESCOc1cc(C(=O)NCCC[NH+](C)C)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-17(2)8-6-7-16-15(18)11-9-12(19-3)14(21-5)13(10-11)20-4/h9-10H,6-8H2,1-5H3,(H,16,18)/p+1
InChIKeyZKPDTRSZIILDMM-UHFFFAOYSA-O
MW297.38 g/mol
LogP-0.02
Rot. Bonds8

About dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium

dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium (PubChem CID 2315963) has the molecular formula C15H25N2O4+ and a molecular weight of 297.38 g/mol. Its IUPAC name is dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium.

Molecular Properties

Compound Namedimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
PubChem CID2315963
Molecular FormulaC15H25N2O4+
Molecular Weight297.38 g/mol
Exact Mass297.18
IUPAC Namedimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium
SMILESCOc1cc(C(=O)NCCC[NH+](C)C)cc(OC)c1OC
InChIInChI=1S/C15H24N2O4/c1-17(2)8-6-7-16-15(18)11-9-12(19-3)14(21-5)13(10-11)20-4/h9-10H,6-8H2,1-5H3,(H,16,18)/p+1
InChIKeyZKPDTRSZIILDMM-UHFFFAOYSA-O
XLogP-0.02
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
N-(4-amino-4-oxobutyl)-3,4,5-trimethoxybenzamide
CID 5235271
N-[3-(dimethylamino)propyl]-3,4,5-trimethoxybenzamide
CID 2315964
dimethyl-[5-[(3,4,5-trimethoxybenzoyl)amino]-3-trimethoxysilylpentyl]azanium chloride
CID 172552820
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
8-[(3,4,5-trimethoxybenzoyl)amino]octanoic acid
CID 22040273
6-[(3,4,5-trimethoxybenzoyl)amino]hexanoic acid
CID 30627
N-(4-bromopentyl)-3,4,5-trimethoxybenzamide
CID 106131338
3-[[4-[3-(dimethylazaniumyl)propylcarbamoyl]benzoyl]amino]propyl-dimethylazanium
CID 2164611
propan-2-yl 4-[(3,4,5-trimethoxybenzoyl)amino]butanoate
CID 3092235
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
N-[2-[(2,6-dimethoxybenzoyl)amino]ethyl]-3,4,5-trimethoxybenzamide
CID 108538120

Frequently Asked Questions

What is the IUPAC name of dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium?
The IUPAC name of dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium (CID 2315963) is dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium.
What is the SMILES notation for dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium?
The canonical SMILES for dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium is COc1cc(C(=O)NCCC[NH+](C)C)cc(OC)c1OC.
What is the InChIKey of dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium?
The InChIKey is ZKPDTRSZIILDMM-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H24N2O4/c1-17(2)8-6-7-16-15(18)11-9-12(19-3)14(21-5)13(10-11)20-4/h9-10H,6-8H2,1-5H3,(H,16,18)/p+1.
What are the key properties of dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium?
dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium has a molecular weight of 297.38 g/mol, XLogP of -0.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[3-[(3,4,5-trimethoxybenzoyl)amino]propyl]azanium is sourced from PubChem (CID 2315963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).