2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide

C23H30N2O3 — CID 54823633

IUPAC2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(OCCCCCC)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-7-16-28-22-10-8-9-20(17-22)24-18-23(26)25-19-11-13-21(14-12-19)27-15-4-2/h4,8-14,17,24H,2-3,5-7,15-16,18H2,1H3,(H,25,26)
InChIKeyLREGNINRLSZNBZ-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.26
Rot. Bonds13

About 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide

2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide (PubChem CID 54823633) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
PubChem CID54823633
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccc(NC(=O)CNc2cccc(OCCCCCC)c2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-7-16-28-22-10-8-9-20(17-22)24-18-23(26)25-19-11-13-21(14-12-19)27-15-4-2/h4,8-14,17,24H,2-3,5-7,15-16,18H2,1H3,(H,25,26)
InChIKeyLREGNINRLSZNBZ-UHFFFAOYSA-N
XLogP5.26
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-ethoxyphenyl)-2-(3-heptoxyanilino)acetamide
CID 54829289
N-(4-heptoxyphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 54829489
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54821314
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54823386
2-(3-heptoxyanilino)-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54829257
2-(3-hexoxyanilino)-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54823270
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-[4-[[2-(3-heptoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54829043
N-(4-butoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825836

Frequently Asked Questions

What is the IUPAC name of 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide (CID 54823633) is 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide is C=CCOc1ccc(NC(=O)CNc2cccc(OCCCCCC)c2)cc1.
What is the InChIKey of 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
The InChIKey is LREGNINRLSZNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-5-6-7-16-28-22-10-8-9-20(17-22)24-18-23(26)25-19-11-13-21(14-12-19)27-15-4-2/h4,8-14,17,24H,2-3,5-7,15-16,18H2,1H3,(H,25,26).
What are the key properties of 2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide?
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide has a molecular weight of 382.50 g/mol, XLogP of 5.26, 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-(4-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54823633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).