N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide

C26H45N5O — CID 21295531

IUPACN,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide
SMILESO=C(CCCCc1nnnn1C1CCCCC1)N(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C26H45N5O/c32-26(19-11-10-18-25-27-28-29-31(25)24-16-8-3-9-17-24)30(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h22-24H,1-21H2
InChIKeyVLDIZRBOEFJYBG-UHFFFAOYSA-N
MW443.68 g/mol
LogP5.88
Rot. Bonds10

About N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide

N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide (PubChem CID 21295531) has the molecular formula C26H45N5O and a molecular weight of 443.68 g/mol. Its IUPAC name is N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide.

Molecular Properties

Compound NameN,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide
PubChem CID21295531
Molecular FormulaC26H45N5O
Molecular Weight443.68 g/mol
Exact Mass443.36
IUPAC NameN,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide
SMILESO=C(CCCCc1nnnn1C1CCCCC1)N(CC1CCCCC1)CC1CCCCC1
InChIInChI=1S/C26H45N5O/c32-26(19-11-10-18-25-27-28-29-31(25)24-16-8-3-9-17-24)30(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h22-24H,1-21H2
InChIKeyVLDIZRBOEFJYBG-UHFFFAOYSA-N
XLogP5.88
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.68
LogP ≤ 55.88
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,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide?
The IUPAC name of N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide (CID 21295531) is N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide.
What is the SMILES notation for N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide?
The canonical SMILES for N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide is O=C(CCCCc1nnnn1C1CCCCC1)N(CC1CCCCC1)CC1CCCCC1.
What is the InChIKey of N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide?
The InChIKey is VLDIZRBOEFJYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N5O/c32-26(19-11-10-18-25-27-28-29-31(25)24-16-8-3-9-17-24)30(20-22-12-4-1-5-13-22)21-23-14-6-2-7-15-23/h22-24H,1-21H2.
What are the key properties of N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide?
N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide has a molecular weight of 443.68 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclohexylmethyl)-5-(1-cyclohexyltetrazol-5-yl)pentanamide is sourced from PubChem (CID 21295531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).