5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide

C18H33N5O — CID 13203414

IUPAC5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide
SMILESCCCCn1nnnc1CCCCC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C18H33N5O/c1-3-5-15-23-17(19-20-21-23)13-9-10-14-18(24)22(4-2)16-11-7-6-8-12-16/h16H,3-15H2,1-2H3
InChIKeyBUAIJUJMMNKQIL-UHFFFAOYSA-N
MW335.50 g/mol
LogP3.37
Rot. Bonds10

About 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide

5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide (PubChem CID 13203414) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide.

Molecular Properties

Compound Name5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide
PubChem CID13203414
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide
SMILESCCCCn1nnnc1CCCCC(=O)N(CC)C1CCCCC1
InChIInChI=1S/C18H33N5O/c1-3-5-15-23-17(19-20-21-23)13-9-10-14-18(24)22(4-2)16-11-7-6-8-12-16/h16H,3-15H2,1-2H3
InChIKeyBUAIJUJMMNKQIL-UHFFFAOYSA-N
XLogP3.37
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide?
The IUPAC name of 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide (CID 13203414) is 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide.
What is the SMILES notation for 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide?
The canonical SMILES for 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide is CCCCn1nnnc1CCCCC(=O)N(CC)C1CCCCC1.
What is the InChIKey of 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide?
The InChIKey is BUAIJUJMMNKQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-3-5-15-23-17(19-20-21-23)13-9-10-14-18(24)22(4-2)16-11-7-6-8-12-16/h16H,3-15H2,1-2H3.
What are the key properties of 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide?
5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide has a molecular weight of 335.50 g/mol, XLogP of 3.37, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-butyltetrazol-5-yl)-N-cyclohexyl-N-ethylpentanamide is sourced from PubChem (CID 13203414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).