N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide

C29H36N2O3 — CID 54825486

IUPACN-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H36N2O3/c1-2-3-4-8-21-33-28-19-15-26(16-20-28)31-29(32)23-30-25-13-17-27(18-14-25)34-22-9-12-24-10-6-5-7-11-24/h5-7,10-11,13-20,30H,2-4,8-9,12,21-23H2,1H3,(H,31,32)
InChIKeyGMBGTODFRGFGOL-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.71
Rot. Bonds15

About N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide

N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54825486) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
PubChem CID54825486
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC NameN-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
SMILESCCCCCCOc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1
InChIInChI=1S/C29H36N2O3/c1-2-3-4-8-21-33-28-19-15-26(16-20-28)31-29(32)23-30-25-13-17-27(18-14-25)34-22-9-12-24-10-6-5-7-11-24/h5-7,10-11,13-20,30H,2-4,8-9,12,21-23H2,1H3,(H,31,32)
InChIKeyGMBGTODFRGFGOL-UHFFFAOYSA-N
XLogP6.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 56.71
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-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
N-(4-acetamidophenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825334
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713
N-[4-(2-ethoxyethoxy)phenyl]-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825460
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-[3-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54825283
N-[4-[[2-oxo-2-[4-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54839600
N-butyl-4-[[2-[4-(3-phenylpropoxy)anilino]acetyl]amino]benzamide
CID 54825518
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
2-(4-ethoxyanilino)-N-(4-heptoxyphenyl)acetamide
CID 54811590
2-(4-ethoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54811684
N-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54836845

Frequently Asked Questions

What is the IUPAC name of N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide (CID 54825486) is N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide is CCCCCCOc1ccc(NC(=O)CNc2ccc(OCCCc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is GMBGTODFRGFGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-2-3-4-8-21-33-28-19-15-26(16-20-28)31-29(32)23-30-25-13-17-27(18-14-25)34-22-9-12-24-10-6-5-7-11-24/h5-7,10-11,13-20,30H,2-4,8-9,12,21-23H2,1H3,(H,31,32).
What are the key properties of N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide?
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide has a molecular weight of 460.62 g/mol, XLogP of 6.71, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54825486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).