N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide

C17H24N4O4 — CID 91785507

IUPACN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCn2nc(C)nc2C)c(OC)c1OC
InChIInChI=1S/C17H24N4O4/c1-11-19-12(2)21(20-11)10-6-9-18-17(22)13-7-8-14(23-3)16(25-5)15(13)24-4/h7-8H,6,9-10H2,1-5H3,(H,18,22)
InChIKeySLSJJYUMQOWLJJ-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.74
Rot. Bonds8

About N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide

N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide (PubChem CID 91785507) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
PubChem CID91785507
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC NameN-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCCn2nc(C)nc2C)c(OC)c1OC
InChIInChI=1S/C17H24N4O4/c1-11-19-12(2)21(20-11)10-6-9-18-17(22)13-7-8-14(23-3)16(25-5)15(13)24-4/h7-8H,6,9-10H2,1-5H3,(H,18,22)
InChIKeySLSJJYUMQOWLJJ-UHFFFAOYSA-N
XLogP1.74
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2,3,4-trimethoxybenzamide
CID 19332159
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-fluoro-2-hydroxybenzamide
CID 91777209
2,3,4-trimethoxy-N-nonylbenzamide
CID 46549952
N-(3-cyanopropyl)-2,3,4-trimethoxybenzamide
CID 62667011
2,3-dimethoxy-N-[3-(6-oxopyridazin-1-yl)propyl]benzamide
CID 30948423
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-1-methylpyrrolo[2,3-b]pyridine-6-carboxamide
CID 157015268
2,3,4-trimethoxy-N-(2-sulfamoylethyl)benzamide
CID 61068031
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
3,5-dichloro-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-4-methylbenzamide
CID 72896651
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 72911944
N-(3-hydroxypropyl)-2,4-dimethoxy-3-methylbenzamide
CID 98016459
N-(2-cyanoethyl)-2,3,4-trimethoxybenzamide
CID 55023434

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide (CID 91785507) is N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCCCn2nc(C)nc2C)c(OC)c1OC.
What is the InChIKey of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
The InChIKey is SLSJJYUMQOWLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-11-19-12(2)21(20-11)10-6-9-18-17(22)13-7-8-14(23-3)16(25-5)15(13)24-4/h7-8H,6,9-10H2,1-5H3,(H,18,22).
What are the key properties of N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide?
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide has a molecular weight of 348.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 91785507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).