3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide

C16H22N4O3 — CID 126835286

IUPAC3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCOCCOc1cccc(C(=O)NCCCc2ncn(C)n2)c1
InChIInChI=1S/C16H22N4O3/c1-20-12-18-15(19-20)7-4-8-17-16(21)13-5-3-6-14(11-13)23-10-9-22-2/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,17,21)
InChIKeyQTIBZXUDIDPUEJ-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.20
Rot. Bonds9

About 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide

3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide (PubChem CID 126835286) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide
PubChem CID126835286
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide
SMILESCOCCOc1cccc(C(=O)NCCCc2ncn(C)n2)c1
InChIInChI=1S/C16H22N4O3/c1-20-12-18-15(19-20)7-4-8-17-16(21)13-5-3-6-14(11-13)23-10-9-22-2/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,17,21)
InChIKeyQTIBZXUDIDPUEJ-UHFFFAOYSA-N
XLogP1.20
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391567
3-methoxy-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533352
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417
3-[2-(2,5-dimethylphenoxy)ethoxy]-N-(2-methoxyethyl)benzamide
CID 13387117
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The IUPAC name of 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide (CID 126835286) is 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide is COCCOc1cccc(C(=O)NCCCc2ncn(C)n2)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
The InChIKey is QTIBZXUDIDPUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-20-12-18-15(19-20)7-4-8-17-16(21)13-5-3-6-14(11-13)23-10-9-22-2/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,17,21).
What are the key properties of 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide?
3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide has a molecular weight of 318.38 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]benzamide is sourced from PubChem (CID 126835286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).