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

C29H36N2O3 — CID 54827901

IUPACN-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)c1
InChIInChI=1S/C29H36N2O3/c1-2-3-4-8-19-33-28-18-10-16-26(22-28)31-29(32)23-30-25-15-9-17-27(21-25)34-20-11-14-24-12-6-5-7-13-24/h5-7,9-10,12-13,15-18,21-22,30H,2-4,8,11,14,19-20,23H2,1H3,(H,31,32)
InChIKeyGTVROOMLNGROAA-UHFFFAOYSA-N
MW460.62 g/mol
LogP6.71
Rot. Bonds15

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

N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide (PubChem CID 54827901) has the molecular formula C29H36N2O3 and a molecular weight of 460.62 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
PubChem CID54827901
Molecular FormulaC29H36N2O3
Molecular Weight460.62 g/mol
Exact Mass460.27
IUPAC NameN-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)c1
InChIInChI=1S/C29H36N2O3/c1-2-3-4-8-19-33-28-18-10-16-26(22-28)31-29(32)23-30-25-15-9-17-27(21-25)34-20-11-14-24-12-6-5-7-13-24/h5-7,9-10,12-13,15-18,21-22,30H,2-4,8,11,14,19-20,23H2,1H3,(H,31,32)
InChIKeyGTVROOMLNGROAA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829263
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54827335
N-[4-[[2-[3-(3-phenylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54827369
N-(3-acetamidophenyl)-2-(3-heptoxyanilino)acetamide
CID 54829112
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-[3-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]benzamide
CID 54829298
N-benzyl-3-[[2-(3-hexoxyanilino)-2-oxoethyl]amino]-N-methylbenzamide
CID 54841928
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide (CID 54827901) is N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide is CCCCCCOc1cccc(NC(=O)CNc2cccc(OCCCc3ccccc3)c2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide?
The InChIKey is GTVROOMLNGROAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O3/c1-2-3-4-8-19-33-28-18-10-16-26(22-28)31-29(32)23-30-25-15-9-17-27(21-25)34-20-11-14-24-12-6-5-7-13-24/h5-7,9-10,12-13,15-18,21-22,30H,2-4,8,11,14,19-20,23H2,1H3,(H,31,32).
What are the key properties of N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide?
N-(3-hexoxyphenyl)-2-[3-(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-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide is sourced from PubChem (CID 54827901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).