2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

C20H26N2O3 — CID 54826384

IUPAC2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCCOc1cccc(NCC(=O)Nc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-4-24-18-9-5-7-16(11-18)21-13-20(23)22-17-8-6-10-19(12-17)25-14-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyFBJUSOSCHCZZHK-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.17
Rot. Bonds9

About 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54826384) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID54826384
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCCOc1cccc(NCC(=O)Nc2cccc(OCC(C)C)c2)c1
InChIInChI=1S/C20H26N2O3/c1-4-24-18-9-5-7-16(11-18)21-13-20(23)22-17-8-6-10-19(12-17)25-14-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyFBJUSOSCHCZZHK-UHFFFAOYSA-N
XLogP4.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
2-anilino-N-(3-ethoxyphenyl)acetamide
CID 54810362
2-(3-butoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54824959
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54823369
N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522
2-(3-chloro-4-fluoroanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54819041
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
N-(2-ethyl-6-methylphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823992

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (CID 54826384) is 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is CCOc1cccc(NCC(=O)Nc2cccc(OCC(C)C)c2)c1.
What is the InChIKey of 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is FBJUSOSCHCZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-24-18-9-5-7-16(11-18)21-13-20(23)22-17-8-6-10-19(12-17)25-14-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54826384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).