N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

C18H26N4O3 — CID 46999939

IUPACN-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCCOc1ccc(CN(CCOC)C(=O)CCc2nncn2C)cc1
InChIInChI=1S/C18H26N4O3/c1-4-25-16-7-5-15(6-8-16)13-22(11-12-24-3)18(23)10-9-17-20-19-14-21(17)2/h5-8,14H,4,9-13H2,1-3H3
InChIKeyZUOHOWPUIXWIBZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.82
Rot. Bonds10

About N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide

N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 46999939) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID46999939
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCCOc1ccc(CN(CCOC)C(=O)CCc2nncn2C)cc1
InChIInChI=1S/C18H26N4O3/c1-4-25-16-7-5-15(6-8-16)13-22(11-12-24-3)18(23)10-9-17-20-19-14-21(17)2/h5-8,14H,4,9-13H2,1-3H3
InChIKeyZUOHOWPUIXWIBZ-UHFFFAOYSA-N
XLogP1.82
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3317154
[4-[[2-methoxyethyl(propanoyl)amino]methyl]phenyl] methanesulfonate
CID 42776024
2-(4-ethoxyphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902367
N-benzyl-N-(2-methoxyethyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 94562085
N-[(4-ethoxyphenyl)methyl]-N-ethyl-2-methoxybutanamide
CID 131938327
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[(4-ethylphenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 50985198
N-benzyl-4-[(4-ethoxyphenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
CID 27826829
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 5113360
[4-[[2-methoxyethyl(propanoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4642457
N-benzyl-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2-methoxyethyl)acetamide
CID 9289798
N-[2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylpropanamide
CID 3903306
4-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethoxy]benzoic acid
CID 103251260

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide (CID 46999939) is N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is CCOc1ccc(CN(CCOC)C(=O)CCc2nncn2C)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is ZUOHOWPUIXWIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-25-16-7-5-15(6-8-16)13-22(11-12-24-3)18(23)10-9-17-20-19-14-21(17)2/h5-8,14H,4,9-13H2,1-3H3.
What are the key properties of N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide?
N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 346.43 g/mol, XLogP of 1.82, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-N-(2-methoxyethyl)-3-(4-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 46999939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).