3-methoxy-N-octadecanoylbenzamide

C26H43NO3 — CID 142668969

IUPAC3-methoxy-N-octadecanoylbenzamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)27-26(29)23-19-18-20-24(22-23)30-2/h18-20,22H,3-17,21H2,1-2H3,(H,27,28,29)
InChIKeyVRAALZXXEQEJFE-UHFFFAOYSA-N
MW417.63 g/mol
LogP7.21
Rot. Bonds18

About 3-methoxy-N-octadecanoylbenzamide

3-methoxy-N-octadecanoylbenzamide (PubChem CID 142668969) has the molecular formula C26H43NO3 and a molecular weight of 417.63 g/mol. Its IUPAC name is 3-methoxy-N-octadecanoylbenzamide.

Molecular Properties

Compound Name3-methoxy-N-octadecanoylbenzamide
PubChem CID142668969
Molecular FormulaC26H43NO3
Molecular Weight417.63 g/mol
Exact Mass417.32
IUPAC Name3-methoxy-N-octadecanoylbenzamide
SMILESCCCCCCCCCCCCCCCCCC(=O)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)27-26(29)23-19-18-20-24(22-23)30-2/h18-20,22H,3-17,21H2,1-2H3,(H,27,28,29)
InChIKeyVRAALZXXEQEJFE-UHFFFAOYSA-N
XLogP7.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.63
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethoxy)-N-octadecanoylbenzamide
CID 142668873
3-methoxy-N'-pentanoylbenzohydrazide
CID 3117671
1-(3-methoxyphenyl)tetradecan-1-one
CID 146007363
3-methoxy-N-tridecylbenzamide
CID 139819898
3-methoxy-N-(pentylcarbamothioyl)benzamide
CID 18822983
4-methoxy-N-pentanoylbenzamide
CID 175364766
nonyl 3-[(3-methoxybenzoyl)amino]propanoate
CID 91715386
1-N',3-N'-di(dodecanoyl)benzene-1,3-dicarbohydrazide
CID 3092349
methyl (Z)-3-(butanoylamino)-3-(3-methoxyphenyl)prop-2-enoate
CID 71135793
4-dodecoxy-N-tridecanoylbenzamide
CID 14273876
methyl 3-(butanoylcarbamoyl)benzoate
CID 70445624
N-[[3-(hexanoylamino)phenyl]carbamothioyl]-3-propan-2-yloxybenzamide
CID 26161976

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-octadecanoylbenzamide?
The IUPAC name of 3-methoxy-N-octadecanoylbenzamide (CID 142668969) is 3-methoxy-N-octadecanoylbenzamide.
What is the SMILES notation for 3-methoxy-N-octadecanoylbenzamide?
The canonical SMILES for 3-methoxy-N-octadecanoylbenzamide is CCCCCCCCCCCCCCCCCC(=O)NC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-octadecanoylbenzamide?
The InChIKey is VRAALZXXEQEJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(28)27-26(29)23-19-18-20-24(22-23)30-2/h18-20,22H,3-17,21H2,1-2H3,(H,27,28,29).
What are the key properties of 3-methoxy-N-octadecanoylbenzamide?
3-methoxy-N-octadecanoylbenzamide has a molecular weight of 417.63 g/mol, XLogP of 7.21, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-octadecanoylbenzamide is sourced from PubChem (CID 142668969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).