N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

C20H25N3O3 — CID 54820398

IUPACN-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)13-26-19-10-8-16(9-11-19)21-12-20(25)23-18-6-4-17(5-7-18)22-15(3)24/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySHPGTIAEGCRFMJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.73
Rot. Bonds8

About N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide

N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (PubChem CID 54820398) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
PubChem CID54820398
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C20H25N3O3/c1-14(2)13-26-19-10-8-16(9-11-19)21-12-20(25)23-18-6-4-17(5-7-18)22-15(3)24/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25)
InChIKeySHPGTIAEGCRFMJ-UHFFFAOYSA-N
XLogP3.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.73
H-Bond Donors ≤ 53
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

N-(4-butoxyphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820404
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54822490
N,N-dimethyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820375
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-(3-chloro-4-methylphenyl)-2-[4-(2-methylpropoxy)anilino]acetamide
CID 54820101
N-[4-(2-methylpropoxy)phenyl]-2-(2,4,5-trichloroanilino)acetamide
CID 54816614
4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]-N-propylbenzamide
CID 54820175
N-(2-methoxyethyl)-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820174
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide (CID 54820398) is N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is CC(=O)Nc1ccc(NC(=O)CNc2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
The InChIKey is SHPGTIAEGCRFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14(2)13-26-19-10-8-16(9-11-19)21-12-20(25)23-18-6-4-17(5-7-18)22-15(3)24/h4-11,14,21H,12-13H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide?
N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-(2-methylpropoxy)anilino]acetamide is sourced from PubChem (CID 54820398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).