2-(2,5-dimethoxyanilino)-N-hexadecylacetamide

C26H46N2O3 — CID 54814998

IUPAC2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1cc(OC)ccc1OC
InChIInChI=1S/C26H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-26(29)22-28-24-21-23(30-2)18-19-25(24)31-3/h18-19,21,28H,4-17,20,22H2,1-3H3,(H,27,29)
InChIKeyKYOGRGUYLXYPQV-UHFFFAOYSA-N
MW434.67 g/mol
LogP6.71
Rot. Bonds20

About 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide

2-(2,5-dimethoxyanilino)-N-hexadecylacetamide (PubChem CID 54814998) has the molecular formula C26H46N2O3 and a molecular weight of 434.67 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
PubChem CID54814998
Molecular FormulaC26H46N2O3
Molecular Weight434.67 g/mol
Exact Mass434.35
IUPAC Name2-(2,5-dimethoxyanilino)-N-hexadecylacetamide
SMILESCCCCCCCCCCCCCCCCNC(=O)CNc1cc(OC)ccc1OC
InChIInChI=1S/C26H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-26(29)22-28-24-21-23(30-2)18-19-25(24)31-3/h18-19,21,28H,4-17,20,22H2,1-3H3,(H,27,29)
InChIKeyKYOGRGUYLXYPQV-UHFFFAOYSA-N
XLogP6.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
CID 54814780
2-(5-methoxy-2-methylanilino)-N-propylacetamide
CID 113256459
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109006089
N-(2,5-dimethoxyphenyl)hexadecanamide
CID 20789890
N'-(2,5-dimethoxyphenyl)-N-propylpropanediamide
CID 108940714
2,4-dimethoxy-N-pentylaniline
CID 28570496
ethyl 2-(2,5-dimethoxyanilino)acetate
CID 28576005
2-(2,5-dimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 54814023
N-hexyl-2-(4-methoxyphenyl)acetamide
CID 3649296
N-butyl-2-(3,5-dimethoxyanilino)acetamide
CID 32913276
N-hexadecyl-2-[4-(2-methoxyethoxy)anilino]acetamide
CID 54822487
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]pentanamide
CID 110601119

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide (CID 54814998) is 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide is CCCCCCCCCCCCCCCCNC(=O)CNc1cc(OC)ccc1OC.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide?
The InChIKey is KYOGRGUYLXYPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-26(29)22-28-24-21-23(30-2)18-19-25(24)31-3/h18-19,21,28H,4-17,20,22H2,1-3H3,(H,27,29).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide?
2-(2,5-dimethoxyanilino)-N-hexadecylacetamide has a molecular weight of 434.67 g/mol, XLogP of 6.71, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-hexadecylacetamide is sourced from PubChem (CID 54814998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).