2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide

C20H26N2O3 — CID 54820383

IUPAC2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-3-13-24-18-9-5-16(6-10-18)21-15-20(23)22-17-7-11-19(12-8-17)25-14-4-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23)
InChIKeyHRJPEQAJLLUPJX-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.31
Rot. Bonds10

About 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide

2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide (PubChem CID 54820383) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
PubChem CID54820383
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H26N2O3/c1-3-13-24-18-9-5-16(6-10-18)21-15-20(23)22-17-7-11-19(12-8-17)25-14-4-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23)
InChIKeyHRJPEQAJLLUPJX-UHFFFAOYSA-N
XLogP4.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluoroanilino)-N-(4-propoxyphenyl)acetamide
CID 54811098
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(methylamino)-N-(4-propoxyphenyl)acetamide
CID 54820943
N,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
propyl 4-[[2-(4-butoxyanilino)acetyl]amino]benzoate
CID 54820220

Frequently Asked Questions

What is the IUPAC name of 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide (CID 54820383) is 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide is CCCOc1ccc(NCC(=O)Nc2ccc(OCCC)cc2)cc1.
What is the InChIKey of 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide?
The InChIKey is HRJPEQAJLLUPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-13-24-18-9-5-16(6-10-18)21-15-20(23)22-17-7-11-19(12-8-17)25-14-4-2/h5-12,21H,3-4,13-15H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide?
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 4.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide is sourced from PubChem (CID 54820383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).