2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide

C28H34N2O3 — CID 54823270

IUPAC2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
SMILESCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C28H34N2O3/c1-2-3-4-8-19-32-27-13-9-12-25(21-27)29-22-28(31)30-24-14-16-26(17-15-24)33-20-18-23-10-6-5-7-11-23/h5-7,9-17,21,29H,2-4,8,18-20,22H2,1H3,(H,30,31)
InChIKeyYBBUIOQWVNDSHO-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.32
Rot. Bonds14

About 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide

2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide (PubChem CID 54823270) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
PubChem CID54823270
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
SMILESCCCCCCOc1cccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)c1
InChIInChI=1S/C28H34N2O3/c1-2-3-4-8-19-32-27-13-9-12-25(21-27)29-22-28(31)30-24-14-16-26(17-15-24)33-20-18-23-10-6-5-7-11-23/h5-7,9-17,21,29H,2-4,8,18-20,22H2,1H3,(H,30,31)
InChIKeyYBBUIOQWVNDSHO-UHFFFAOYSA-N
XLogP6.32
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.32
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-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54829263
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(3-hexoxyphenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 54822027
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
N-(4-hexoxyphenyl)-2-[4-(3-phenylpropoxy)anilino]acetamide
CID 54825486
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
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-[4-[[2-(4-heptoxyanilino)-2-oxoethyl]amino]phenyl]-3-phenylpropanamide
CID 54839712
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257

Frequently Asked Questions

What is the IUPAC name of 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide (CID 54823270) is 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide is CCCCCCOc1cccc(NCC(=O)Nc2ccc(OCCc3ccccc3)cc2)c1.
What is the InChIKey of 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide?
The InChIKey is YBBUIOQWVNDSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-2-3-4-8-19-32-27-13-9-12-25(21-27)29-22-28(31)30-24-14-16-26(17-15-24)33-20-18-23-10-6-5-7-11-23/h5-7,9-17,21,29H,2-4,8,18-20,22H2,1H3,(H,30,31).
What are the key properties of 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide?
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide has a molecular weight of 446.59 g/mol, XLogP of 6.32, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide is sourced from PubChem (CID 54823270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).