N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

C20H22N4O3 — CID 45207828

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccc2ccccc2c1CNC(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C20H22N4O3/c1-26-19-9-8-14-5-2-3-7-16(14)17(19)11-21-20(25)18-13-24(23-22-18)12-15-6-4-10-27-15/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3,(H,21,25)
InChIKeyMUZQJDTZXUAWOP-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.55
Rot. Bonds6

About N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide

N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 45207828) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
PubChem CID45207828
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
SMILESCOc1ccc2ccccc2c1CNC(=O)c1cn(CC2CCCO2)nn1
InChIInChI=1S/C20H22N4O3/c1-26-19-9-8-14-5-2-3-7-16(14)17(19)11-21-20(25)18-13-24(23-22-18)12-15-6-4-10-27-15/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3,(H,21,25)
InChIKeyMUZQJDTZXUAWOP-UHFFFAOYSA-N
XLogP2.55
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 56902904
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709353
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45236383
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-[(4-morpholin-4-ylphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 42101548
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
1-[[(2R)-oxolan-2-yl]methyl]-N-(1-phenylcyclopropyl)triazole-4-carboxamide
CID 42288627
N-[(2-methoxynaphthalen-1-yl)methyl]-4-(oxan-2-yl)piperidine-1-carboxamide
CID 136552454
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-1-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 25384668
1-[[(2S)-oxolan-2-yl]methyl]-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]triazole-4-carboxamide
CID 95726876
3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 136524086
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide (CID 45207828) is N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is COc1ccc2ccccc2c1CNC(=O)c1cn(CC2CCCO2)nn1.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is MUZQJDTZXUAWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-26-19-9-8-14-5-2-3-7-16(14)17(19)11-21-20(25)18-13-24(23-22-18)12-15-6-4-10-27-15/h2-3,5,7-9,13,15H,4,6,10-12H2,1H3,(H,21,25).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide?
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 45207828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).