2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide

C27H32N2O3 — CID 54823573

IUPAC2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NCC(=O)Nc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C27H32N2O3/c1-2-3-4-10-18-31-24-15-11-14-23(19-24)28-20-27(30)29-25-16-8-9-17-26(25)32-21-22-12-6-5-7-13-22/h5-9,11-17,19,28H,2-4,10,18,20-21H2,1H3,(H,29,30)
InChIKeyGFSAPUVSDKYSRN-UHFFFAOYSA-N
MW432.56 g/mol
LogP6.28
Rot. Bonds13

About 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide

2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide (PubChem CID 54823573) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
PubChem CID54823573
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Name2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
SMILESCCCCCCOc1cccc(NCC(=O)Nc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C27H32N2O3/c1-2-3-4-10-18-31-24-15-11-14-23(19-24)28-20-27(30)29-25-16-8-9-17-26(25)32-21-22-12-6-5-7-13-22/h5-9,11-17,19,28H,2-4,10,18,20-21H2,1H3,(H,29,30)
InChIKeyGFSAPUVSDKYSRN-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-heptoxyphenyl)-2-(2-phenylmethoxyanilino)acetamide
CID 54828053
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
CID 54828856
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275
2-(3-acetamidoanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54831747
2-[3-(2-phenoxyethoxy)anilino]-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54826045
N-[2-(2-methylprop-2-enoxy)phenyl]-2-(3-phenylmethoxyanilino)acetamide
CID 54826701
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270

Frequently Asked Questions

What is the IUPAC name of 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide (CID 54823573) is 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide is CCCCCCOc1cccc(NCC(=O)Nc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide?
The InChIKey is GFSAPUVSDKYSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-2-3-4-10-18-31-24-15-11-14-23(19-24)28-20-27(30)29-25-16-8-9-17-26(25)32-21-22-12-6-5-7-13-22/h5-9,11-17,19,28H,2-4,10,18,20-21H2,1H3,(H,29,30).
What are the key properties of 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide?
2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)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 2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 54823573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).