2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide

C23H32N2O3 — CID 54811590

IUPAC2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H32N2O3/c1-3-5-6-7-8-17-28-22-15-11-20(12-16-22)25-23(26)18-24-19-9-13-21(14-10-19)27-4-2/h9-16,24H,3-8,17-18H2,1-2H3,(H,25,26)
InChIKeyBLRCPEFAPMXGBQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.49
Rot. Bonds13

About 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide

2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide (PubChem CID 54811590) has the molecular formula C23H32N2O3 and a molecular weight of 384.52 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
PubChem CID54811590
Molecular FormulaC23H32N2O3
Molecular Weight384.52 g/mol
Exact Mass384.24
IUPAC Name2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
SMILESCCCCCCCOc1ccc(NC(=O)CNc2ccc(OCC)cc2)cc1
InChIInChI=1S/C23H32N2O3/c1-3-5-6-7-8-17-28-22-15-11-20(12-16-22)25-23(26)18-24-19-9-13-21(14-10-19)27-4-2/h9-16,24H,3-8,17-18H2,1-2H3,(H,25,26)
InChIKeyBLRCPEFAPMXGBQ-UHFFFAOYSA-N
XLogP5.49
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(4-hexoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54837237
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835555
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
2-(3,5-dimethylanilino)-N-(4-hexoxyphenyl)acetamide
CID 54813396
2-(4-butoxyanilino)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 54820258
N-[4-[[2-(4-butoxyanilino)acetyl]amino]phenyl]butanamide
CID 54820523
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
2-(4-propoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54820383
propyl 4-[[2-(4-hexoxyanilino)acetyl]amino]benzoate
CID 54820609
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide (CID 54811590) is 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide is CCCCCCCOc1ccc(NC(=O)CNc2ccc(OCC)cc2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide?
The InChIKey is BLRCPEFAPMXGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3/c1-3-5-6-7-8-17-28-22-15-11-20(12-16-22)25-23(26)18-24-19-9-13-21(14-10-19)27-4-2/h9-16,24H,3-8,17-18H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide?
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide has a molecular weight of 384.52 g/mol, XLogP of 5.49, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide is sourced from PubChem (CID 54811590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).