N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide

C17H18N2O2 — CID 19795365

IUPACN-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-17(20)19-15-7-5-13(6-8-15)18-14-9-11-16(12-10-14)21-4-2/h3,5-12,18H,1,4H2,2H3,(H,19,20)
InChIKeyYRTYIHLGEYSUES-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.95
Rot. Bonds6

About N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide

N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide (PubChem CID 19795365) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
PubChem CID19795365
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(Nc2ccc(OCC)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-17(20)19-15-7-5-13(6-8-15)18-14-9-11-16(12-10-14)21-4-2/h3,5-12,18H,1,4H2,2H3,(H,19,20)
InChIKeyYRTYIHLGEYSUES-UHFFFAOYSA-N
XLogP3.95
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167768510
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-[(4-ethoxyphenyl)carbamoyl]formamide
CID 174454424
(2S)-1-N,2-N-bis(4-ethoxyphenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 21177970
N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
CID 166421133
N-(4-ethoxyphenyl)-2-oxo-2-(2-prop-1-en-2-ylhydrazinyl)acetamide
CID 2252294
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
[4-(prop-2-enoylamino)phenyl]mercury
CID 67534138

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide (CID 19795365) is N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(Nc2ccc(OCC)cc2)cc1.
What is the InChIKey of N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide?
The InChIKey is YRTYIHLGEYSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-17(20)19-15-7-5-13(6-8-15)18-14-9-11-16(12-10-14)21-4-2/h3,5-12,18H,1,4H2,2H3,(H,19,20).
What are the key properties of N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide?
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide is sourced from PubChem (CID 19795365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).