2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

C22H24N4O — CID 9471276

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C22H24N4O/c1-16(18-8-10-21(11-9-18)26-15-23-14-24-26)25(2)22(27)13-17-6-7-19-4-3-5-20(19)12-17/h6-12,14-16H,3-5,13H2,1-2H3/t16-/m1/s1
InChIKeyZKEMGGOJXXZXFZ-MRXNPFEDSA-N
MW360.46 g/mol
LogP3.52
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide

2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (PubChem CID 9471276) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
PubChem CID9471276
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
SMILESC[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc2c(c1)CCC2
InChIInChI=1S/C22H24N4O/c1-16(18-8-10-21(11-9-18)26-15-23-14-24-26)25(2)22(27)13-17-6-7-19-4-3-5-20(19)12-17/h6-12,14-16H,3-5,13H2,1-2H3/t16-/m1/s1
InChIKeyZKEMGGOJXXZXFZ-MRXNPFEDSA-N
XLogP3.52
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 71902108
N-methyl-2-(1-phenylpyrazol-4-yl)-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 51335766
2-(2,5-dimethoxyphenyl)-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 78808726
2-cyclopentyl-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 78808650
2-(2-chlorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 9471057
N-methyl-2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 85018583
N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31744287
3-(4-fluorophenyl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]propanamide
CID 9471332
2-cyclohexyloxy-N-methyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 87000736
2-[cyclopropyl(ethyl)amino]-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide
CID 97099231
N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]cyclobutanecarboxamide
CID 8820417
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 9471079

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide (CID 9471276) is 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)Cc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
The InChIKey is ZKEMGGOJXXZXFZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16(18-8-10-21(11-9-18)26-15-23-14-24-26)25(2)22(27)13-17-6-7-19-4-3-5-20(19)12-17/h6-12,14-16H,3-5,13H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide?
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]acetamide is sourced from PubChem (CID 9471276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).