5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide

C21H37N5O2 — CID 21295312

IUPAC5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide
SMILESCCN(C(=O)CCCCc1nnnn1C1CCCCC1)C1CCCCC1OC
InChIInChI=1S/C21H37N5O2/c1-3-25(18-13-7-8-14-19(18)28-2)21(27)16-10-9-15-20-22-23-24-26(20)17-11-5-4-6-12-17/h17-19H,3-16H2,1-2H3
InChIKeyOVAPDYTWKLMEPV-UHFFFAOYSA-N
MW391.56 g/mol
LogP3.70
Rot. Bonds9

About 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide

5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide (PubChem CID 21295312) has the molecular formula C21H37N5O2 and a molecular weight of 391.56 g/mol. Its IUPAC name is 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide.

Molecular Properties

Compound Name5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide
PubChem CID21295312
Molecular FormulaC21H37N5O2
Molecular Weight391.56 g/mol
Exact Mass391.29
IUPAC Name5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide
SMILESCCN(C(=O)CCCCc1nnnn1C1CCCCC1)C1CCCCC1OC
InChIInChI=1S/C21H37N5O2/c1-3-25(18-13-7-8-14-19(18)28-2)21(27)16-10-9-15-20-22-23-24-26(20)17-11-5-4-6-12-17/h17-19H,3-16H2,1-2H3
InChIKeyOVAPDYTWKLMEPV-UHFFFAOYSA-N
XLogP3.70
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide?
The IUPAC name of 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide (CID 21295312) is 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide.
What is the SMILES notation for 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide?
The canonical SMILES for 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide is CCN(C(=O)CCCCc1nnnn1C1CCCCC1)C1CCCCC1OC.
What is the InChIKey of 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide?
The InChIKey is OVAPDYTWKLMEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2/c1-3-25(18-13-7-8-14-19(18)28-2)21(27)16-10-9-15-20-22-23-24-26(20)17-11-5-4-6-12-17/h17-19H,3-16H2,1-2H3.
What are the key properties of 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide?
5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide has a molecular weight of 391.56 g/mol, XLogP of 3.70, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyltetrazol-5-yl)-N-ethyl-N-(2-methoxycyclohexyl)pentanamide is sourced from PubChem (CID 21295312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).