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

C22H28N4O — CID 121345821

IUPAC3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
SMILESCCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)C
InChIInChI=1S/C22H28N4O/c1-4-26-20(13-12-16(2)3)24-25-21(26)14-15-22(27)23-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,4,12-15H2,1-3H3,(H,23,27)
InChIKeySFLSFBBZAKRQJA-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.61
Rot. Bonds8

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

3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide (PubChem CID 121345821) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide.

Molecular Properties

Compound Name3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
PubChem CID121345821
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
SMILESCCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)C
InChIInChI=1S/C22H28N4O/c1-4-26-20(13-12-16(2)3)24-25-21(26)14-15-22(27)23-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,4,12-15H2,1-3H3,(H,23,27)
InChIKeySFLSFBBZAKRQJA-UHFFFAOYSA-N
XLogP4.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2,3-dihydro-1H-inden-2-yl)-4-ethyl-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide
CID 74222010
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylphenyl)propanamide
CID 90130853
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
N-[[4-ethyl-5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 126158365
3-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]-N-naphthalen-1-ylpropanamide
CID 26087233
N-(3-chloro-2-methylphenyl)-3-[5-(2-cyclohexylethyl)-4-ethyl-1,2,4-triazol-3-yl]propanamide
CID 121345817
N-(2,3-dimethylphenyl)-3-[4-ethyl-5-[(5-phenyltetrazol-2-yl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 90369373
2-chloro-N-[[4-ethyl-5-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 126358534
2-[[5-[(2-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 3140232
3-fluoro-N-naphthalen-1-ylpropanamide
CID 67224476
4-[4-ethyl-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-1-naphthalen-1-ylbutan-2-one
CID 157340146
N'-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-N-naphthalen-1-ylbutanediamide
CID 1399795

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The IUPAC name of 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide (CID 121345821) is 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide.
What is the SMILES notation for 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The canonical SMILES for 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide is CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)C.
What is the InChIKey of 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
The InChIKey is SFLSFBBZAKRQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-4-26-20(13-12-16(2)3)24-25-21(26)14-15-22(27)23-19-11-7-9-17-8-5-6-10-18(17)19/h5-11,16H,4,12-15H2,1-3H3,(H,23,27).
What are the key properties of 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide?
3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide has a molecular weight of 364.49 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-naphthalen-1-ylpropanamide is sourced from PubChem (CID 121345821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).