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

C20H35N5O — CID 13203397

IUPACN-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide
SMILESCCN(C(=O)CCCCc1nnnn1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35N5O/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/h17-18H,2-16H2,1H3
InChIKeyHXLXXGMLDGGHSQ-UHFFFAOYSA-N
MW361.53 g/mol
LogP4.07
Rot. Bonds8

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

N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide (PubChem CID 13203397) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide
PubChem CID13203397
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC NameN-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide
SMILESCCN(C(=O)CCCCc1nnnn1C1CCCCC1)C1CCCCC1
InChIInChI=1S/C20H35N5O/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/h17-18H,2-16H2,1H3
InChIKeyHXLXXGMLDGGHSQ-UHFFFAOYSA-N
XLogP4.07
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 54.07
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-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide?
The IUPAC name of N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide (CID 13203397) is N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide.
What is the SMILES notation for N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide?
The canonical SMILES for N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide is CCN(C(=O)CCCCc1nnnn1C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide?
The InChIKey is HXLXXGMLDGGHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/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/h17-18H,2-16H2,1H3.
What are the key properties of N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide?
N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide has a molecular weight of 361.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(1-cyclohexyltetrazol-5-yl)-N-ethylpentanamide is sourced from PubChem (CID 13203397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).