N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide

C14H19N5O2 — CID 111612090

IUPACN-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide
SMILESCC(C)c1nnnn1CC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H19N5O2/c1-10(2)14-16-17-18-19(14)9-13(21)15-12-5-3-11(4-6-12)7-8-20/h3-6,10,20H,7-9H2,1-2H3,(H,15,21)
InChIKeyWMGJDJAEEISHEJ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.97
Rot. Bonds6

About N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide

N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide (PubChem CID 111612090) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide
PubChem CID111612090
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide
SMILESCC(C)c1nnnn1CC(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C14H19N5O2/c1-10(2)14-16-17-18-19(14)9-13(21)15-12-5-3-11(4-6-12)7-8-20/h3-6,10,20H,7-9H2,1-2H3,(H,15,21)
InChIKeyWMGJDJAEEISHEJ-UHFFFAOYSA-N
XLogP0.97
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289113
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
3-amino-N-[4-(2-hydroxyethyl)phenyl]-3-sulfanylidenepropanamide
CID 61236630
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145
3-[1-[2-(4-methylanilino)-2-oxoethyl]tetrazol-5-yl]propanoic acid
CID 84758832
2-tert-butylsulfanyl-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 61222140
N-[2-[1-[2-(4-ethylanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-3-phenylpropanamide
CID 1083726
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethylphenyl)acetamide
CID 2393833
2-(5-tert-butyltetrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60548314
1-[2-[4-(2-hydroxyethyl)anilino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323926
2-hydroxy-4-[[2-(5-methyltetrazol-1-yl)acetyl]amino]benzoic acid
CID 175080634
N-[4-(2-hydroxyethyl)phenyl]-2-methyl-3-methylsulfanylpropanamide
CID 75381692

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide (CID 111612090) is N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide is CC(C)c1nnnn1CC(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide?
The InChIKey is WMGJDJAEEISHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(2)14-16-17-18-19(14)9-13(21)15-12-5-3-11(4-6-12)7-8-20/h3-6,10,20H,7-9H2,1-2H3,(H,15,21).
What are the key properties of N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide?
N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)phenyl]-2-(5-propan-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 111612090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).