16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide

C26H43NO4 — CID 67855239

IUPAC16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide
SMILESCOc1cc(C(C)=O)c(OC)cc1CCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C26H43NO4/c1-21(28)23-20-24(30-2)22(19-25(23)31-3)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(27)29/h19-20H,4-18H2,1-3H3,(H2,27,29)
InChIKeyJOHFSMVQTCSWNU-UHFFFAOYSA-N
MW433.63 g/mol
LogP6.40
Rot. Bonds19

About 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide

16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide (PubChem CID 67855239) has the molecular formula C26H43NO4 and a molecular weight of 433.63 g/mol. Its IUPAC name is 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide.

Molecular Properties

Compound Name16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide
PubChem CID67855239
Molecular FormulaC26H43NO4
Molecular Weight433.63 g/mol
Exact Mass433.32
IUPAC Name16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide
SMILESCOc1cc(C(C)=O)c(OC)cc1CCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C26H43NO4/c1-21(28)23-20-24(30-2)22(19-25(23)31-3)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(27)29/h19-20H,4-18H2,1-3H3,(H2,27,29)
InChIKeyJOHFSMVQTCSWNU-UHFFFAOYSA-N
XLogP6.40
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.63
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
1-(2-decyl-4,5-dimethoxyphenyl)decan-1-one
CID 71424697
1-[4-(2-aminoethyl)-2,5-dimethoxyphenyl]-2-methylpropan-1-one
CID 171534658
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
5-(7-methoxynaphthalen-1-yl)pentanamide
CID 67627444
4-[4-(dimethylamino)-2,5-dimethoxyphenyl]butanoic acid
CID 117421697
1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]ethanone
CID 83893411
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
3-(2,5-dimethoxy-4-pentylphenyl)propan-1-amine
CID 176899183
1-(4,5-diamino-2-methoxyphenyl)octadecan-1-one
CID 154279335
1-(4-hexyl-2,5-dimethoxyphenyl)butan-2-amine
CID 165123636

Frequently Asked Questions

What is the IUPAC name of 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide?
The IUPAC name of 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide (CID 67855239) is 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide.
What is the SMILES notation for 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide?
The canonical SMILES for 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide is COc1cc(C(C)=O)c(OC)cc1CCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide?
The InChIKey is JOHFSMVQTCSWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43NO4/c1-21(28)23-20-24(30-2)22(19-25(23)31-3)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-26(27)29/h19-20H,4-18H2,1-3H3,(H2,27,29).
What are the key properties of 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide?
16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide has a molecular weight of 433.63 g/mol, XLogP of 6.40, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide is sourced from PubChem (CID 67855239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).