N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide

C27H32N2O3 — CID 54822027

IUPACN-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C27H32N2O3/c1-2-3-4-8-18-31-26-13-9-12-24(19-26)29-27(30)20-28-23-14-16-25(17-15-23)32-21-22-10-6-5-7-11-22/h5-7,9-17,19,28H,2-4,8,18,20-21H2,1H3,(H,29,30)
InChIKeyPMADEULTGANTSO-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.28
Rot. Bonds13

About N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide

N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide (PubChem CID 54822027) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
PubChem CID54822027
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC NameN-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
SMILESCCCCCCOc1cccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C27H32N2O3/c1-2-3-4-8-18-31-26-13-9-12-24(19-26)29-27(30)20-28-23-14-16-25(17-15-23)32-21-22-10-6-5-7-11-22/h5-7,9-17,19,28H,2-4,8,18,20-21H2,1H3,(H,29,30)
InChIKeyPMADEULTGANTSO-UHFFFAOYSA-N
XLogP6.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 56.28
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-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54828053
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-(3-heptoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812359
N-(3-hexoxyphenyl)-2-(4-methoxyanilino)acetamide
CID 54812522
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829263
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-[3-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]hexanamide
CID 54822717

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide (CID 54822027) is N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide is CCCCCCOc1cccc(NC(=O)CNc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide?
The InChIKey is PMADEULTGANTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-2-3-4-8-18-31-26-13-9-12-24(19-26)29-27(30)20-28-23-14-16-25(17-15-23)32-21-22-10-6-5-7-11-22/h5-7,9-17,19,28H,2-4,8,18,20-21H2,1H3,(H,29,30).
What are the key properties of N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide?
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide has a molecular weight of 432.56 g/mol, XLogP of 6.28, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 54822027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).