2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide

C18H28N2O5 — CID 113179147

IUPAC2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-6-7-8-9-19-17(22)12-20(13(2)21)14-10-15(23-3)18(25-5)16(11-14)24-4/h10-11H,6-9,12H2,1-5H3,(H,19,22)
InChIKeyXEKUIZFVWLUSEP-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.37
Rot. Bonds10

About 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide

2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide (PubChem CID 113179147) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
PubChem CID113179147
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(C(C)=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-6-7-8-9-19-17(22)12-20(13(2)21)14-10-15(23-3)18(25-5)16(11-14)24-4/h10-11H,6-9,12H2,1-5H3,(H,19,22)
InChIKeyXEKUIZFVWLUSEP-UHFFFAOYSA-N
XLogP2.37
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-acetyl-4-methoxyanilino)-N-pentylacetamide
CID 113173563
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
CID 113179148
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(furan-2-ylmethyl)acetamide
CID 113179129
N-pentyl-2-(3,4,5-trimethoxyanilino)acetamide
CID 109006089
2-(N-acetyl-3,4-difluoroanilino)-N-pentylacetamide
CID 113181630
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113179163
2-(N,3-diacetylanilino)-N-pentylacetamide
CID 113175445
N-decyl-3,4,5-trimethoxybenzamide
CID 5067444
2-(N-acetyl-3,4-dimethoxyanilino)-N-(2-methoxyethyl)acetamide
CID 113174824
1-pentyl-3-(3,4,5-trimethoxyphenyl)urea
CID 51290149
2-(N-acetyl-4-ethoxyanilino)-N-butylacetamide
CID 113173852
N-butyl-3-(3,4,5-trimethoxyanilino)propanamide
CID 109012336

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide?
The IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide (CID 113179147) is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide?
The canonical SMILES for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide is CCCCCNC(=O)CN(C(C)=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide?
The InChIKey is XEKUIZFVWLUSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-6-7-8-9-19-17(22)12-20(13(2)21)14-10-15(23-3)18(25-5)16(11-14)24-4/h10-11H,6-9,12H2,1-5H3,(H,19,22).
What are the key properties of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide?
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide has a molecular weight of 352.43 g/mol, XLogP of 2.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide is sourced from PubChem (CID 113179147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).