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

C23H30N2O3 — CID 54823386

IUPAC2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1cccc(OCCCCCC)c1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-9-16-27-20-12-10-11-19(17-20)24-18-23(26)25-21-13-7-8-14-22(21)28-15-4-2/h4,7-8,10-14,17,24H,2-3,5-6,9,15-16,18H2,1H3,(H,25,26)
InChIKeyPZJLUXRJFNHFFU-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.26
Rot. Bonds13

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

2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide (PubChem CID 54823386) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
PubChem CID54823386
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
SMILESC=CCOc1ccccc1NC(=O)CNc1cccc(OCCCCCC)c1
InChIInChI=1S/C23H30N2O3/c1-3-5-6-9-16-27-20-12-10-11-19(17-20)24-18-23(26)25-21-13-7-8-14-22(21)28-15-4-2/h4,7-8,10-14,17,24H,2-3,5-6,9,15-16,18H2,1H3,(H,25,26)
InChIKeyPZJLUXRJFNHFFU-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'}

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Related Compounds

2-(3-hexoxyanilino)-N-(2-phenylmethoxyphenyl)acetamide
CID 54823573
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
2-[3-(2-phenylethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54828312
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
2-[[2-(3-heptoxyanilino)acetyl]amino]benzamide
CID 54828856
N-(2-butoxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821544
N-(2-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822084
N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
N-(2-phenylmethoxyphenyl)-2-(3-prop-2-enoxyanilino)acetamide
CID 54826275
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
2-[4-(2-phenoxyethoxy)anilino]-N-(2-prop-2-enoxyphenyl)acetamide
CID 54822803

Frequently Asked Questions

What is the IUPAC name of 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The IUPAC name of 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide (CID 54823386) is 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The canonical SMILES for 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide is C=CCOc1ccccc1NC(=O)CNc1cccc(OCCCCCC)c1.
What is the InChIKey of 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
The InChIKey is PZJLUXRJFNHFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-5-6-9-16-27-20-12-10-11-19(17-20)24-18-23(26)25-21-13-7-8-14-22(21)28-15-4-2/h4,7-8,10-14,17,24H,2-3,5-6,9,15-16,18H2,1H3,(H,25,26).
What are the key properties of 2-(3-hexoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide?
2-(3-hexoxyanilino)-N-(2-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-(2-prop-2-enoxyphenyl)acetamide is sourced from PubChem (CID 54823386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).