14,17-dipentyl-azacycloicosane-4-carboxamide

C30H60N2O — CID 67362322

IUPAC14,17-dipentyl-azacycloicosane-4-carboxamide
SMILESCCCCCC1CCCCCCCCCC(C(N)=O)CCNCCCC(CCCCC)CC1
InChIInChI=1S/C30H60N2O/c1-3-5-12-17-27-19-14-10-8-7-9-11-15-21-29(30(31)33)24-26-32-25-16-20-28(23-22-27)18-13-6-4-2/h27-29,32H,3-26H2,1-2H3,(H2,31,33)
InChIKeyOUTAAHOAWKXQNP-UHFFFAOYSA-N
MW464.82 g/mol
LogP8.55
Rot. Bonds9

About 14,17-dipentyl-azacycloicosane-4-carboxamide

14,17-dipentyl-azacycloicosane-4-carboxamide (PubChem CID 67362322) has the molecular formula C30H60N2O and a molecular weight of 464.82 g/mol. Its IUPAC name is 14,17-dipentyl-azacycloicosane-4-carboxamide.

Molecular Properties

Compound Name14,17-dipentyl-azacycloicosane-4-carboxamide
PubChem CID67362322
Molecular FormulaC30H60N2O
Molecular Weight464.82 g/mol
Exact Mass464.47
IUPAC Name14,17-dipentyl-azacycloicosane-4-carboxamide
SMILESCCCCCC1CCCCCCCCCC(C(N)=O)CCNCCCC(CCCCC)CC1
InChIInChI=1S/C30H60N2O/c1-3-5-12-17-27-19-14-10-8-7-9-11-15-21-29(30(31)33)24-26-32-25-16-20-28(23-22-27)18-13-6-4-2/h27-29,32H,3-26H2,1-2H3,(H2,31,33)
InChIKeyOUTAAHOAWKXQNP-UHFFFAOYSA-N
XLogP8.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.82
LogP ≤ 58.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-pentylazecane
CID 166829392
butylcyclohexane;pyrrolidine
CID 145242408
azonane-5-carboxamide
CID 175462100
heptylcyclohexane;propan-2-one
CID 143570854
carbonyl dichloride;pentylcyclohexane
CID 19977556
4-hexadecylpiperidine
CID 54096875
octylcyclotetradecane
CID 175261841
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
tetradecylcyclododecane
CID 169026037
4-heptylpiperidine;methane
CID 144690559
azane;heptylcyclohexane
CID 121434222

Frequently Asked Questions

What is the IUPAC name of 14,17-dipentyl-azacycloicosane-4-carboxamide?
The IUPAC name of 14,17-dipentyl-azacycloicosane-4-carboxamide (CID 67362322) is 14,17-dipentyl-azacycloicosane-4-carboxamide.
What is the SMILES notation for 14,17-dipentyl-azacycloicosane-4-carboxamide?
The canonical SMILES for 14,17-dipentyl-azacycloicosane-4-carboxamide is CCCCCC1CCCCCCCCCC(C(N)=O)CCNCCCC(CCCCC)CC1.
What is the InChIKey of 14,17-dipentyl-azacycloicosane-4-carboxamide?
The InChIKey is OUTAAHOAWKXQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2O/c1-3-5-12-17-27-19-14-10-8-7-9-11-15-21-29(30(31)33)24-26-32-25-16-20-28(23-22-27)18-13-6-4-2/h27-29,32H,3-26H2,1-2H3,(H2,31,33).
What are the key properties of 14,17-dipentyl-azacycloicosane-4-carboxamide?
14,17-dipentyl-azacycloicosane-4-carboxamide has a molecular weight of 464.82 g/mol, XLogP of 8.55, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,17-dipentyl-azacycloicosane-4-carboxamide is sourced from PubChem (CID 67362322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).