2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide

C18H28N2O5 — CID 113179148

IUPAC2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-7-8-9-19(3)17(22)12-20(13(2)21)14-10-15(23-4)18(25-6)16(11-14)24-5/h10-11H,7-9,12H2,1-6H3
InChIKeyVJSCEEIJUFVPND-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.32
Rot. Bonds9

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

2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide (PubChem CID 113179148) 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-butyl-N-methylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
PubChem CID113179148
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(C(C)=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H28N2O5/c1-7-8-9-19(3)17(22)12-20(13(2)21)14-10-15(23-4)18(25-6)16(11-14)24-5/h10-11H,7-9,12H2,1-6H3
InChIKeyVJSCEEIJUFVPND-UHFFFAOYSA-N
XLogP2.32
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(N-acetyl-3-methoxyanilino)-N-butyl-N-methylacetamide
CID 113173373
2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168509
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-pentylacetamide
CID 113179147
2-(N-acetyl-4-bromoanilino)-N-butyl-N-methylacetamide
CID 113172969
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113174860
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-(3,5-dimethylphenyl)acetamide
CID 113179163
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]butan-1-amine
CID 3537775
N-butyl-2-(4-methoxy-2,3-dimethylphenyl)-N-methylacetamide
CID 110769670
2-(N-acetyl-2,3-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168897
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide?
The IUPAC name of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide (CID 113179148) is 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide.
What is the SMILES notation for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide?
The canonical SMILES for 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide is CCCCN(C)C(=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-butyl-N-methylacetamide?
The InChIKey is VJSCEEIJUFVPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-7-8-9-19(3)17(22)12-20(13(2)21)14-10-15(23-4)18(25-6)16(11-14)24-5/h10-11H,7-9,12H2,1-6H3.
What are the key properties of 2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide?
2-(N-acetyl-3,4,5-trimethoxyanilino)-N-butyl-N-methylacetamide has a molecular weight of 352.43 g/mol, XLogP of 2.32, 9 rotatable bonds, 0 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-butyl-N-methylacetamide is sourced from PubChem (CID 113179148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).