3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide

C26H26N4O — CID 74222010

IUPAC3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
SMILESCCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C26H26N4O/c1-2-30-24(28-29-26(30)21-16-19-9-3-4-10-20(19)17-21)14-15-25(31)27-23-13-7-11-18-8-5-6-12-22(18)23/h3-13,21H,2,14-17H2,1H3,(H,27,31)
InChIKeyCIMGXRUSOPOFMC-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.90
Rot. Bonds6

About 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide

3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 74222010) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
PubChem CID74222010
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
SMILESCCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1
InChIInChI=1S/C26H26N4O/c1-2-30-24(28-29-26(30)21-16-19-9-3-4-10-20(19)17-21)14-15-25(31)27-23-13-7-11-18-8-5-6-12-22(18)23/h3-13,21H,2,14-17H2,1H3,(H,27,31)
InChIKeyCIMGXRUSOPOFMC-UHFFFAOYSA-N
XLogP4.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanoate
CID 121340211
3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 121345821
trans-(1S,2S)-2-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 121345612
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]propanal;N-methylaniline
CID 144615523
(E)-3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]prop-2-enoic acid
CID 90130753
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-[(5-cyclohexyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 3167221
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 17136642
2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-N-naphthalen-1-ylacetamide
CID 25357225
N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 90369373
2-[[5-[(2-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 3140232

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide (CID 74222010) is 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide is CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1C1Cc2ccccc2C1.
What is the InChIKey of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is CIMGXRUSOPOFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-2-30-24(28-29-26(30)21-16-19-9-3-4-10-20(19)17-21)14-15-25(31)27-23-13-7-11-18-8-5-6-12-22(18)23/h3-13,21H,2,14-17H2,1H3,(H,27,31).
What are the key properties of 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 410.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 74222010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).