formamide;hexadecylbenzene;propane

C26H49NO — CID 162756092

IUPACformamide;hexadecylbenzene;propane
SMILESCCC.CCCCCCCCCCCCCCCCc1ccccc1.NC=O
InChIInChI=1S/C22H38.C3H8.CH3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-3-2;2-1-3/h15,17-18,20-21H,2-14,16,19H2,1H3;3H2,1-2H3;1H,(H2,2,3)
InChIKeyQXVCQAWFGGCJTJ-UHFFFAOYSA-N
MW391.68 g/mol
LogP8.23
Rot. Bonds15

About formamide;hexadecylbenzene;propane

formamide;hexadecylbenzene;propane (PubChem CID 162756092) has the molecular formula C26H49NO and a molecular weight of 391.68 g/mol. Its IUPAC name is formamide;hexadecylbenzene;propane.

Molecular Properties

Compound Nameformamide;hexadecylbenzene;propane
PubChem CID162756092
Molecular FormulaC26H49NO
Molecular Weight391.68 g/mol
Exact Mass391.38
IUPAC Nameformamide;hexadecylbenzene;propane
SMILESCCC.CCCCCCCCCCCCCCCCc1ccccc1.NC=O
InChIInChI=1S/C22H38.C3H8.CH3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-3-2;2-1-3/h15,17-18,20-21H,2-14,16,19H2,1H3;3H2,1-2H3;1H,(H2,2,3)
InChIKeyQXVCQAWFGGCJTJ-UHFFFAOYSA-N
XLogP8.23
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.68
LogP ≤ 58.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
butan-1-amine;dodecylbenzene
CID 158824240

Frequently Asked Questions

What is the IUPAC name of formamide;hexadecylbenzene;propane?
The IUPAC name of formamide;hexadecylbenzene;propane (CID 162756092) is formamide;hexadecylbenzene;propane.
What is the SMILES notation for formamide;hexadecylbenzene;propane?
The canonical SMILES for formamide;hexadecylbenzene;propane is CCC.CCCCCCCCCCCCCCCCc1ccccc1.NC=O.
What is the InChIKey of formamide;hexadecylbenzene;propane?
The InChIKey is QXVCQAWFGGCJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38.C3H8.CH3NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-3-2;2-1-3/h15,17-18,20-21H,2-14,16,19H2,1H3;3H2,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;hexadecylbenzene;propane?
formamide;hexadecylbenzene;propane has a molecular weight of 391.68 g/mol, XLogP of 8.23, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;hexadecylbenzene;propane is sourced from PubChem (CID 162756092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).