2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide

C20H24N2O3 — CID 54821314

IUPAC2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-12-24-18-10-8-16(9-11-18)21-15-20(23)22-17-6-5-7-19(14-17)25-13-4-2/h3,5-11,14,21H,1,4,12-13,15H2,2H3,(H,22,23)
InChIKeyYRBFXQAVMYPCMK-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.09
Rot. Bonds10

About 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide

2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide (PubChem CID 54821314) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
PubChem CID54821314
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
SMILESC=CCOc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1
InChIInChI=1S/C20H24N2O3/c1-3-12-24-18-10-8-16(9-11-18)21-15-20(23)22-17-6-5-7-19(14-17)25-13-4-2/h3,5-11,14,21H,1,4,12-13,15H2,2H3,(H,22,23)
InChIKeyYRBFXQAVMYPCMK-UHFFFAOYSA-N
XLogP4.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.09
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3-prop-2-enoxyphenyl)-2-(3-propoxyanilino)acetamide
CID 54824851
2-[4-(2-phenoxyethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54822985
2-(4-butoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54820125
2-(3-hexoxyanilino)-N-(4-prop-2-enoxyphenyl)acetamide
CID 54823633
N-[3-(2-methoxyethoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820051
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
2-[4-(2-methylprop-2-enoxy)anilino]-N-(3-propoxyphenyl)acetamide
CID 54824311
N-(3-acetamidophenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821414
N-(3-butoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54821837
N-[3-[[2-(3-prop-2-enoxyanilino)acetyl]amino]phenyl]propanamide
CID 54826616
N-(3-acetamidophenyl)-2-(4-propoxyanilino)acetamide
CID 54822822
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide?
The IUPAC name of 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide (CID 54821314) is 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide?
The canonical SMILES for 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide is C=CCOc1ccc(NCC(=O)Nc2cccc(OCCC)c2)cc1.
What is the InChIKey of 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide?
The InChIKey is YRBFXQAVMYPCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-12-24-18-10-8-16(9-11-18)21-15-20(23)22-17-6-5-7-19(14-17)25-13-4-2/h3,5-11,14,21H,1,4,12-13,15H2,2H3,(H,22,23).
What are the key properties of 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide?
2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide is sourced from PubChem (CID 54821314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).