N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide

C17H23N5O — CID 146132083

IUPACN-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(C2(CNC(=O)Cn3cnnn3)CCCC2)c(C)c1
InChIInChI=1S/C17H23N5O/c1-13-5-6-15(14(2)9-13)17(7-3-4-8-17)11-18-16(23)10-22-12-19-20-21-22/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,18,23)
InChIKeyZAWHTLXTNBONHL-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.92
Rot. Bonds5

About N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide

N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 146132083) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID146132083
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCc1ccc(C2(CNC(=O)Cn3cnnn3)CCCC2)c(C)c1
InChIInChI=1S/C17H23N5O/c1-13-5-6-15(14(2)9-13)17(7-3-4-8-17)11-18-16(23)10-22-12-19-20-21-22/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,18,23)
InChIKeyZAWHTLXTNBONHL-UHFFFAOYSA-N
XLogP1.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2,4-dichlorophenyl)cyclobutyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 146124911
3-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl-methylamino]propanoic acid
CID 122015595
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-3-(tetrazol-1-yl)propanamide
CID 122556371
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122015594
N-ethyl-2-(tetrazol-1-yl)acetamide
CID 130679342
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-(tetrazol-1-yl)acetamide
CID 65123925
N-[[1-(2-chloro-4-fluorophenyl)cyclopentyl]methyl]-2-(triazol-1-yl)acetamide
CID 126785962
N-(3-hydroxy-4-methylphenyl)-2-(tetrazol-1-yl)acetamide
CID 64795132
N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 136567710
N-[[1-(dimethylamino)cyclopentyl]methyl]-4-(tetrazol-1-yl)butanamide
CID 122568157
N-[[1-(2,2-dimethylmorpholin-4-yl)cyclohexyl]methyl]-2-(tetrazol-1-yl)acetamide
CID 56784186

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide (CID 146132083) is N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide is Cc1ccc(C2(CNC(=O)Cn3cnnn3)CCCC2)c(C)c1.
What is the InChIKey of N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is ZAWHTLXTNBONHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-5-6-15(14(2)9-13)17(7-3-4-8-17)11-18-16(23)10-22-12-19-20-21-22/h5-6,9,12H,3-4,7-8,10-11H2,1-2H3,(H,18,23).
What are the key properties of N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 313.41 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,4-dimethylphenyl)cyclopentyl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 146132083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).