N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C16H29N5O — CID 127254601

IUPACN-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCCCCCCCCNC(=O)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C16H29N5O/c1-2-3-4-5-6-10-13-17-15(22)16(11-8-7-9-12-16)21-14-18-19-20-21/h14H,2-13H2,1H3,(H,17,22)
InChIKeyCFWWWEBFNVWVMW-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.81
Rot. Bonds9

About N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 127254601) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID127254601
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCCCCCCCCNC(=O)C1(n2cnnn2)CCCCC1
InChIInChI=1S/C16H29N5O/c1-2-3-4-5-6-10-13-17-15(22)16(11-8-7-9-12-16)21-14-18-19-20-21/h14H,2-13H2,1H3,(H,17,22)
InChIKeyCFWWWEBFNVWVMW-UHFFFAOYSA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
CID 132573279
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 162894157
N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 75489329
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 45493855
N-hexyl-3-methylpiperidine-3-carboxamide
CID 63130071
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
N-(3-chloro-4-fluorophenyl)-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
CID 45494171
1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534
N,N'-diheptyloxamide
CID 3417538
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387

Frequently Asked Questions

What is the IUPAC name of N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 127254601) is N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is CCCCCCCCNC(=O)C1(n2cnnn2)CCCCC1.
What is the InChIKey of N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is CFWWWEBFNVWVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-2-3-4-5-6-10-13-17-15(22)16(11-8-7-9-12-16)21-14-18-19-20-21/h14H,2-13H2,1H3,(H,17,22).
What are the key properties of N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 127254601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).