2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide

C14H17N5O — CID 154845056

IUPAC2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1NC(=O)Cc1ccc(C2CCC2)cc1
InChIInChI=1S/C14H17N5O/c1-19-14(16-17-18-19)15-13(20)9-10-5-7-12(8-6-10)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,15,16,18,20)
InChIKeySEFLKYCKKAEJLS-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.66
Rot. Bonds4

About 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide

2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide (PubChem CID 154845056) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide
PubChem CID154845056
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide
SMILESCn1nnnc1NC(=O)Cc1ccc(C2CCC2)cc1
InChIInChI=1S/C14H17N5O/c1-19-14(16-17-18-19)15-13(20)9-10-5-7-12(8-6-10)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,15,16,18,20)
InChIKeySEFLKYCKKAEJLS-UHFFFAOYSA-N
XLogP1.66
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide?
The IUPAC name of 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide (CID 154845056) is 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide is Cn1nnnc1NC(=O)Cc1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide?
The InChIKey is SEFLKYCKKAEJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-19-14(16-17-18-19)15-13(20)9-10-5-7-12(8-6-10)11-3-2-4-11/h5-8,11H,2-4,9H2,1H3,(H,15,16,18,20).
What are the key properties of 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide?
2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-N-(1-methyltetrazol-5-yl)acetamide is sourced from PubChem (CID 154845056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).