octadecanamide;hydrochloride

C18H38ClNO — CID 87891779

IUPACoctadecanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)=O.Cl
InChIInChI=1S/C18H37NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H2,19,20);1H
InChIKeyDXDHTWPMNOEUAK-UHFFFAOYSA-N
MW319.96 g/mol
LogP6.16
Rot. Bonds16

About octadecanamide;hydrochloride

octadecanamide;hydrochloride (PubChem CID 87891779) has the molecular formula C18H38ClNO and a molecular weight of 319.96 g/mol. Its IUPAC name is octadecanamide;hydrochloride.

Molecular Properties

Compound Nameoctadecanamide;hydrochloride
PubChem CID87891779
Molecular FormulaC18H38ClNO
Molecular Weight319.96 g/mol
Exact Mass319.26
IUPAC Nameoctadecanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCC(N)=O.Cl
InChIInChI=1S/C18H37NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H2,19,20);1H
InChIKeyDXDHTWPMNOEUAK-UHFFFAOYSA-N
XLogP6.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.96
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 87899207
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CID 90014672

Frequently Asked Questions

What is the IUPAC name of octadecanamide;hydrochloride?
The IUPAC name of octadecanamide;hydrochloride (CID 87891779) is octadecanamide;hydrochloride.
What is the SMILES notation for octadecanamide;hydrochloride?
The canonical SMILES for octadecanamide;hydrochloride is CCCCCCCCCCCCCCCCCC(N)=O.Cl.
What is the InChIKey of octadecanamide;hydrochloride?
The InChIKey is DXDHTWPMNOEUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H2,19,20);1H.
What are the key properties of octadecanamide;hydrochloride?
octadecanamide;hydrochloride has a molecular weight of 319.96 g/mol, XLogP of 6.16, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadecanamide;hydrochloride is sourced from PubChem (CID 87891779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).