1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide

C19H27N5O3 — CID 23610595

IUPAC1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)NCCCN3CCOCC3)c2C)cc1
InChIInChI=1S/C19H27N5O3/c1-3-27-17-7-5-16(6-8-17)24-15(2)18(21-22-24)19(25)20-9-4-10-23-11-13-26-14-12-23/h5-8H,3-4,9-14H2,1-2H3,(H,20,25)
InChIKeyMEDMGBKFBOXQIW-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.43
Rot. Bonds8

About 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide

1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide (PubChem CID 23610595) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
PubChem CID23610595
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2nnc(C(=O)NCCCN3CCOCC3)c2C)cc1
InChIInChI=1S/C19H27N5O3/c1-3-27-17-7-5-16(6-8-17)24-15(2)18(21-22-24)19(25)20-9-4-10-23-11-13-26-14-12-23/h5-8H,3-4,9-14H2,1-2H3,(H,20,25)
InChIKeyMEDMGBKFBOXQIW-UHFFFAOYSA-N
XLogP1.43
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.43
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'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 125145042
N-[4-(4-fluorophenoxy)butyl]-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 55598581
3-[(4-ethoxyphenyl)sulfamoyl]-4-methyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 25162121
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
5-ethoxy-1-ethyl-3-methyl-N-(3-morpholin-4-ylpropyl)indole-2-carboxamide
CID 110497779
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
1-(4-ethoxyphenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649287
3-(4-ethoxyphenyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-oxophthalazine-1-carboxamide
CID 20970826
3,5-dichloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 17013971
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378
4-methyl-2-[(4-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)-1,3-thiazole-5-carboxamide
CID 43045174

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide (CID 23610595) is 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide is CCOc1ccc(-n2nnc(C(=O)NCCCN3CCOCC3)c2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide?
The InChIKey is MEDMGBKFBOXQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-3-27-17-7-5-16(6-8-17)24-15(2)18(21-22-24)19(25)20-9-4-10-23-11-13-26-14-12-23/h5-8H,3-4,9-14H2,1-2H3,(H,20,25).
What are the key properties of 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide?
1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 23610595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).