N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C18H24N4O2 — CID 91783809

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C18H24N4O2/c1-24-11-10-22-13-20-21-17(22)8-9-19-18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,13,16H,6-12H2,1H3,(H,19,23)
InChIKeyRTSQMHLSUISXSQ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.39
Rot. Bonds7

About N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 91783809) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID91783809
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C18H24N4O2/c1-24-11-10-22-13-20-21-17(22)8-9-19-18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,13,16H,6-12H2,1H3,(H,19,23)
InChIKeyRTSQMHLSUISXSQ-UHFFFAOYSA-N
XLogP1.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2,3,4,5-tetrahydro-1-benzoxepine-4-carboxamide
CID 97284500
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 118789537
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 91796163
cis-(1S,2R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 135088766
(1R)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 126425312
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
N-[1-(2-methoxyethyl)tetrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 136570665
(3R)-1-cyclopentyl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-6-oxopiperidine-3-carboxamide
CID 97135815
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 157016114
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 154565636

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 91783809) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is COCCn1cnnc1CCNC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is RTSQMHLSUISXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-11-10-22-13-20-21-17(22)8-9-19-18(23)16-7-6-14-4-2-3-5-15(14)12-16/h2-5,13,16H,6-12H2,1H3,(H,19,23).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 91783809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).