1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide

C18H26N4O5 — CID 47089114

IUPAC1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide
SMILESCCOC(Cn1cc(C(=O)NCCOc2cccc(OC)c2)nn1)OCC
InChIInChI=1S/C18H26N4O5/c1-4-25-17(26-5-2)13-22-12-16(20-21-22)18(23)19-9-10-27-15-8-6-7-14(11-15)24-3/h6-8,11-12,17H,4-5,9-10,13H2,1-3H3,(H,19,23)
InChIKeyFEZYSWPKZFJHFO-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.49
Rot. Bonds12

About 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide

1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide (PubChem CID 47089114) has the molecular formula C18H26N4O5 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide
PubChem CID47089114
Molecular FormulaC18H26N4O5
Molecular Weight378.43 g/mol
Exact Mass378.19
IUPAC Name1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide
SMILESCCOC(Cn1cc(C(=O)NCCOc2cccc(OC)c2)nn1)OCC
InChIInChI=1S/C18H26N4O5/c1-4-25-17(26-5-2)13-22-12-16(20-21-22)18(23)19-9-10-27-15-8-6-7-14(11-15)24-3/h6-8,11-12,17H,4-5,9-10,13H2,1-3H3,(H,19,23)
InChIKeyFEZYSWPKZFJHFO-UHFFFAOYSA-N
XLogP1.49
TPSA96.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-diethoxyethyl)-N-(2-phenylethyl)triazole-4-carboxamide
CID 47089082
2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
2-[4-(2-ethoxyethylcarbamoyl)triazol-1-yl]acetic acid
CID 66288954
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 45204441
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
N-[2-(3-methoxyphenoxy)ethyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55792234
N-[2-(3-ethoxyphenoxy)ethyl]propanamide
CID 113100561
N-[2-(4-fluorophenoxy)ethyl]-1-methyltriazole-4-carboxamide
CID 45497185
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822603

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide (CID 47089114) is 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide is CCOC(Cn1cc(C(=O)NCCOc2cccc(OC)c2)nn1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide?
The InChIKey is FEZYSWPKZFJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O5/c1-4-25-17(26-5-2)13-22-12-16(20-21-22)18(23)19-9-10-27-15-8-6-7-14(11-15)24-3/h6-8,11-12,17H,4-5,9-10,13H2,1-3H3,(H,19,23).
What are the key properties of 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide?
1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.49, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 47089114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).