N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide

C20H35N5O — CID 21295276

IUPACN-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide
SMILESCC1CCC(n2nnnc2CCCCC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C20H35N5O/c1-16-12-14-18(15-13-16)25-19(21-22-23-25)10-6-7-11-20(26)24(2)17-8-4-3-5-9-17/h16-18H,3-15H2,1-2H3
InChIKeyBNGHYPRGQOVCDV-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.93
Rot. Bonds7

About N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide

N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide (PubChem CID 21295276) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide
PubChem CID21295276
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC NameN-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide
SMILESCC1CCC(n2nnnc2CCCCC(=O)N(C)C2CCCCC2)CC1
InChIInChI=1S/C20H35N5O/c1-16-12-14-18(15-13-16)25-19(21-22-23-25)10-6-7-11-20(26)24(2)17-8-4-3-5-9-17/h16-18H,3-15H2,1-2H3
InChIKeyBNGHYPRGQOVCDV-UHFFFAOYSA-N
XLogP3.93
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.93
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-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide?
The IUPAC name of N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide (CID 21295276) is N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide?
The canonical SMILES for N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide is CC1CCC(n2nnnc2CCCCC(=O)N(C)C2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide?
The InChIKey is BNGHYPRGQOVCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-16-12-14-18(15-13-16)25-19(21-22-23-25)10-6-7-11-20(26)24(2)17-8-4-3-5-9-17/h16-18H,3-15H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide?
N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide has a molecular weight of 361.53 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]pentanamide is sourced from PubChem (CID 21295276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).