N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

C22H33N5O3 — CID 55651605

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nnn(-c2cccc(OC)c2)c1C)N1CCOCC1
InChIInChI=1S/C22H33N5O3/c1-5-17(6-2)20(26-10-12-30-13-11-26)15-23-22(28)21-16(3)27(25-24-21)18-8-7-9-19(14-18)29-4/h7-9,14,17,20H,5-6,10-13,15H2,1-4H3,(H,23,28)
InChIKeyLBOYMVXHCHJKRG-UHFFFAOYSA-N
MW415.54 g/mol
LogP2.45
Rot. Bonds9

About N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (PubChem CID 55651605) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
PubChem CID55651605
Molecular FormulaC22H33N5O3
Molecular Weight415.54 g/mol
Exact Mass415.26
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nnn(-c2cccc(OC)c2)c1C)N1CCOCC1
InChIInChI=1S/C22H33N5O3/c1-5-17(6-2)20(26-10-12-30-13-11-26)15-23-22(28)21-16(3)27(25-24-21)18-8-7-9-19(14-18)29-4/h7-9,14,17,20H,5-6,10-13,15H2,1-4H3,(H,23,28)
InChIKeyLBOYMVXHCHJKRG-UHFFFAOYSA-N
XLogP2.45
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methoxyphenyl)-5-methyl-N-(3-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 55952566
1-(3-methoxyphenyl)-2,5-dimethyl-N-(3-methyl-2-morpholin-4-ylbutyl)pyrrole-3-carboxamide
CID 55910695
N-(3-ethyl-2-morpholin-4-ylpentyl)-2,3-dimethoxybenzamide
CID 46529390
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(3-methoxy-4-methylphenyl)acetamide
CID 55548898
ethyl 4-[[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]amino]benzoate
CID 16649100
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119841658
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-oxoacetamide
CID 30710069
N-(3-ethyl-2-morpholin-4-ylpentyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869073
N-(3-ethyl-2-morpholin-4-ylpentyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42943249
(2S)-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25495550

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide (CID 55651605) is N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is CCC(CC)C(CNC(=O)c1nnn(-c2cccc(OC)c2)c1C)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
The InChIKey is LBOYMVXHCHJKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-5-17(6-2)20(26-10-12-30-13-11-26)15-23-22(28)21-16(3)27(25-24-21)18-8-7-9-19(14-18)29-4/h7-9,14,17,20H,5-6,10-13,15H2,1-4H3,(H,23,28).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 55651605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).