octadecanamide;bis(propan-2-ol)

C24H53NO3 — CID 90014672

IUPACoctadecanamide;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C18H37NO.2C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4/h2-17H2,1H3,(H2,19,20);2*3-4H,1-2H3
InChIKeyFISKNIGAEBBANT-UHFFFAOYSA-N
MW403.69 g/mol
LogP6.51
Rot. Bonds16

About octadecanamide;bis(propan-2-ol)

octadecanamide;bis(propan-2-ol) (PubChem CID 90014672) has the molecular formula C24H53NO3 and a molecular weight of 403.69 g/mol. Its IUPAC name is octadecanamide;bis(propan-2-ol).

Molecular Properties

Compound Nameoctadecanamide;bis(propan-2-ol)
PubChem CID90014672
Molecular FormulaC24H53NO3
Molecular Weight403.69 g/mol
Exact Mass403.40
IUPAC Nameoctadecanamide;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.CCCCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C18H37NO.2C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4/h2-17H2,1H3,(H2,19,20);2*3-4H,1-2H3
InChIKeyFISKNIGAEBBANT-UHFFFAOYSA-N
XLogP6.51
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.69
LogP ≤ 56.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetradecanamide
CID 175692014
nonacosanamide
CID 21105912
tetrapentacontanamide
CID 139682680
octadecanamide;hydrochloride
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octadecanamide;zinc
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butane;octanamide
CID 87511414
ethanol;tridecanamide
CID 174935457
CID 87899207
CID 87899207
hexadecanamide;2-hydroxypropanoic acid;N-methylmethanamine
CID 174723566
ethane-1,2-diamine;bis(octadecanamide)
CID 22256983
dodecanamide;N-methylmethanamine
CID 159337435
acetamide;decanamide;dihydrochloride
CID 141131942

Frequently Asked Questions

What is the IUPAC name of octadecanamide;bis(propan-2-ol)?
The IUPAC name of octadecanamide;bis(propan-2-ol) (CID 90014672) is octadecanamide;bis(propan-2-ol).
What is the SMILES notation for octadecanamide;bis(propan-2-ol)?
The canonical SMILES for octadecanamide;bis(propan-2-ol) is CC(C)O.CC(C)O.CCCCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of octadecanamide;bis(propan-2-ol)?
The InChIKey is FISKNIGAEBBANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.2C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3(2)4/h2-17H2,1H3,(H2,19,20);2*3-4H,1-2H3.
What are the key properties of octadecanamide;bis(propan-2-ol)?
octadecanamide;bis(propan-2-ol) has a molecular weight of 403.69 g/mol, XLogP of 6.51, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanamide;bis(propan-2-ol) is sourced from PubChem (CID 90014672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).