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

C17H22N4O3 — CID 91796163

IUPACN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C17H22N4O3/c1-23-11-10-21-12-19-20-16(21)8-9-18-17(22)15-7-6-13-4-2-3-5-14(13)24-15/h2-5,12,15H,6-11H2,1H3,(H,18,22)
InChIKeyFWHODEHRPJXSJA-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.98
Rot. Bonds7

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

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 91796163) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID91796163
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCOCCn1cnnc1CCNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C17H22N4O3/c1-23-11-10-21-12-19-20-16(21)8-9-18-17(22)15-7-6-13-4-2-3-5-14(13)24-15/h2-5,12,15H,6-11H2,1H3,(H,18,22)
InChIKeyFWHODEHRPJXSJA-UHFFFAOYSA-N
XLogP0.98
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 91783809
(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
(1R)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 126425312
cis-(1S,2R)-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 135088766
2-(2-chlorophenyl)-2-hydroxy-N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]acetamide
CID 118765487
N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136567978
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021
(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 99960771
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 90649003
3-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-1-(quinolin-4-ylmethyl)urea
CID 121495851
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 91796163) is N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide is COCCn1cnnc1CCNC(=O)C1CCc2ccccc2O1.
What is the InChIKey of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is FWHODEHRPJXSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-11-10-21-12-19-20-16(21)8-9-18-17(22)15-7-6-13-4-2-3-5-14(13)24-15/h2-5,12,15H,6-11H2,1H3,(H,18,22).
What are the key properties of N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 91796163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).