N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide

C14H18N4O2 — CID 18138197

IUPACN-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCOCCCNC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-20-9-3-8-16-14(19)12-4-6-13(7-5-12)18-11-15-10-17-18/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,19)
InChIKeyCABRNAWNFYZMNL-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.42
Rot. Bonds7

About N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide

N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 18138197) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID18138197
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCOCCCNC(=O)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C14H18N4O2/c1-2-20-9-3-8-16-14(19)12-4-6-13(7-5-12)18-11-15-10-17-18/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,19)
InChIKeyCABRNAWNFYZMNL-UHFFFAOYSA-N
XLogP1.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-cyano-N-(3-ethoxypropyl)-3-[4-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
CID 52555364
N-(3-phenylsulfanylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 27163926
1-(4-chlorophenyl)-N-(3-ethoxypropyl)pyrazole-4-carboxamide
CID 50772943
4-cyano-N-(3-ethoxypropyl)benzamide
CID 24708113
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
ethyl 5-tert-butyl-1-[4-(3-ethoxypropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 71958284
1-(3-butoxypropyl)-2-methyl-3-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111239986
6-chloro-N-(3-ethoxypropyl)pyridine-3-carboxamide
CID 18070777
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
N-[(3-methylthiophen-2-yl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 32987584
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 94006565
N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 111460488

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide (CID 18138197) is N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide is CCOCCCNC(=O)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is CABRNAWNFYZMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-20-9-3-8-16-14(19)12-4-6-13(7-5-12)18-11-15-10-17-18/h4-7,10-11H,2-3,8-9H2,1H3,(H,16,19).
What are the key properties of N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide?
N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 18138197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).