N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide

C18H20N4O2 — CID 166311579

IUPACN-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide
SMILESCCn1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)nn1
InChIInChI=1S/C18H20N4O2/c1-4-22-12-16(20-21-22)19-17(23)18(2,3)24-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,4H2,1-3H3,(H,19,23)
InChIKeyZARIGGABOBBOPD-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.25
Rot. Bonds5

About N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide

N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide (PubChem CID 166311579) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound NameN-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide
PubChem CID166311579
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide
SMILESCCn1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)nn1
InChIInChI=1S/C18H20N4O2/c1-4-22-12-16(20-21-22)19-17(23)18(2,3)24-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,4H2,1-3H3,(H,19,23)
InChIKeyZARIGGABOBBOPD-UHFFFAOYSA-N
XLogP3.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzyltriazol-4-yl)-2-methoxy-2-methylpropanamide
CID 99834227
2-methyl-2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)propanamide
CID 24962327
2-[2-[(2-methyl-2-naphthalen-2-yloxypropanoyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 87418022
N-(1-ethyltriazol-4-yl)-2-fluoro-6-(trifluoromethoxy)benzamide
CID 166376391
N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide
CID 138013916
methyl 1-(naphthalen-2-ylmethyl)triazole-4-carboxylate
CID 122241268
2-methyl-N-(2-methyltetrazol-5-yl)-2-phenoxypropanamide
CID 30309509
2-(4-acetamidotriazol-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112522032
anisole;ethane;2-methoxynaphthalene;propane
CID 158674412
methyl N-[1-[2-(2-ethylanilino)-2-oxoethyl]triazol-4-yl]carbamate
CID 112524017
2-(1-methoxy-1-phenylethoxy)naphthalene
CID 139725280
2-(3-chlorophenoxy)-2-methyl-N-(1,2-oxazol-3-yl)propanamide
CID 25236389

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide?
The IUPAC name of N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide (CID 166311579) is N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide is CCn1cc(NC(=O)C(C)(C)Oc2ccc3ccccc3c2)nn1.
What is the InChIKey of N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide?
The InChIKey is ZARIGGABOBBOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-4-22-12-16(20-21-22)19-17(23)18(2,3)24-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,4H2,1-3H3,(H,19,23).
What are the key properties of N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide?
N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide has a molecular weight of 324.38 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyltriazol-4-yl)-2-methyl-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 166311579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).