2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide

C21H28N2O4 — CID 54814025

IUPAC2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C21H28N2O4/c1-15(2)10-11-27-18-7-5-6-16(12-18)23-21(24)14-22-19-13-17(25-3)8-9-20(19)26-4/h5-9,12-13,15,22H,10-11,14H2,1-4H3,(H,23,24)
InChIKeyOPLCQGDGIIFVAP-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.18
Rot. Bonds10

About 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide

2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide (PubChem CID 54814025) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
PubChem CID54814025
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
SMILESCOc1ccc(OC)c(NCC(=O)Nc2cccc(OCCC(C)C)c2)c1
InChIInChI=1S/C21H28N2O4/c1-15(2)10-11-27-18-7-5-6-16(12-18)23-21(24)14-22-19-13-17(25-3)8-9-20(19)26-4/h5-9,12-13,15,22H,10-11,14H2,1-4H3,(H,23,24)
InChIKeyOPLCQGDGIIFVAP-UHFFFAOYSA-N
XLogP4.18
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54813974
2-(2,5-dimethoxyanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54814109
2-(2,5-dimethoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54813924
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
N-(3-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824740
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-[2-methyl-3-[[2-[3-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54844927
2-(2,5-dimethoxyanilino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 54814166
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(4-butoxyphenyl)-2-[3-(3-methylbutoxy)anilino]acetamide
CID 54824951
2-(2-methoxyanilino)-N-[3-(2-phenylethoxy)phenyl]acetamide
CID 54817560
N-[4-[[2-(2,5-dimethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814052

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide (CID 54814025) is 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide is COc1ccc(OC)c(NCC(=O)Nc2cccc(OCCC(C)C)c2)c1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
The InChIKey is OPLCQGDGIIFVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15(2)10-11-27-18-7-5-6-16(12-18)23-21(24)14-22-19-13-17(25-3)8-9-20(19)26-4/h5-9,12-13,15,22H,10-11,14H2,1-4H3,(H,23,24).
What are the key properties of 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide?
2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 4.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide is sourced from PubChem (CID 54814025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).