N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide

C20H29N5O — CID 3062260

IUPACN-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide
SMILESCCN(C(=O)CCCCc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H29N5O/c1-2-24(17-11-5-3-6-12-17)20(26)16-10-9-15-19-21-22-23-25(19)18-13-7-4-8-14-18/h4,7-8,13-14,17H,2-3,5-6,9-12,15-16H2,1H3
InChIKeyKEJRVBBZOIUEDA-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.56
Rot. Bonds8

About N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide

N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide (PubChem CID 3062260) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide
PubChem CID3062260
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC NameN-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide
SMILESCCN(C(=O)CCCCc1nnnn1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H29N5O/c1-2-24(17-11-5-3-6-12-17)20(26)16-10-9-15-19-21-22-23-25(19)18-13-7-4-8-14-18/h4,7-8,13-14,17H,2-3,5-6,9-12,15-16H2,1H3
InChIKeyKEJRVBBZOIUEDA-UHFFFAOYSA-N
XLogP3.56
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.56
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 N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The IUPAC name of N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide (CID 3062260) is N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide is CCN(C(=O)CCCCc1nnnn1-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide?
The InChIKey is KEJRVBBZOIUEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-2-24(17-11-5-3-6-12-17)20(26)16-10-9-15-19-21-22-23-25(19)18-13-7-4-8-14-18/h4,7-8,13-14,17H,2-3,5-6,9-12,15-16H2,1H3.
What are the key properties of N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide?
N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide has a molecular weight of 355.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-5-(1-phenyltetrazol-5-yl)pentanamide is sourced from PubChem (CID 3062260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).