N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

C24H24N4O4 — CID 45204441

IUPACN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESCOc1cccc(OCC(O)CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)c1
InChIInChI=1S/C24H24N4O4/c1-31-20-9-5-10-21(12-20)32-16-19(29)13-25-24(30)23-15-28(27-26-23)14-18-8-4-7-17-6-2-3-11-22(17)18/h2-12,15,19,29H,13-14,16H2,1H3,(H,25,30)
InChIKeyFMMZXEYHFROHIH-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.66
Rot. Bonds9

About N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (PubChem CID 45204441) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
PubChem CID45204441
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC NameN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESCOc1cccc(OCC(O)CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)c1
InChIInChI=1S/C24H24N4O4/c1-31-20-9-5-10-21(12-20)32-16-19(29)13-25-24(30)23-15-28(27-26-23)14-18-8-4-7-17-6-2-3-11-22(17)18/h2-12,15,19,29H,13-14,16H2,1H3,(H,25,30)
InChIKeyFMMZXEYHFROHIH-UHFFFAOYSA-N
XLogP2.66
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42358241
methyl 4-[[1-(naphthalen-1-ylmethyl)triazole-4-carbonyl]amino]butanoate
CID 42215304
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56881683
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42213389
1-(2,2-diethoxyethyl)-N-[2-(3-methoxyphenoxy)ethyl]triazole-4-carboxamide
CID 47089114
1-(naphthalen-1-ylmethyl)-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]triazole-4-carboxamide
CID 25488403
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 45238522
N-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 6930395
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
2-[[2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]-2-methylpropanamide
CID 61219801
N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 25464874

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (CID 45204441) is N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is COc1cccc(OCC(O)CNC(=O)c2cn(Cc3cccc4ccccc34)nn2)c1.
What is the InChIKey of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The InChIKey is FMMZXEYHFROHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-31-20-9-5-10-21(12-20)32-16-19(29)13-25-24(30)23-15-28(27-26-23)14-18-8-4-7-17-6-2-3-11-22(17)18/h2-12,15,19,29H,13-14,16H2,1H3,(H,25,30).
What are the key properties of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 45204441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).