N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide

C21H24N2O3 — CID 166421133

IUPACN-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NCc2ccc(OCCC)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-13-26-19-11-7-17(8-12-19)15-22-21(25)14-16-5-9-18(10-6-16)23-20(24)4-2/h4-12H,2-3,13-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyFUHZGWSPWYVYBY-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.46
Rot. Bonds9

About N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide

N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide (PubChem CID 166421133) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
PubChem CID166421133
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)NCc2ccc(OCCC)cc2)cc1
InChIInChI=1S/C21H24N2O3/c1-3-13-26-19-11-7-17(8-12-19)15-22-21(25)14-16-5-9-18(10-6-16)23-20(24)4-2/h4-12H,2-3,13-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyFUHZGWSPWYVYBY-UHFFFAOYSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.46
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-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
N-(4-propoxyphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028237
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55509603
methyl 2-[[2-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]acetyl]amino]acetate
CID 55781621
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
2-cyano-N-[4-[[[2-(4-ethoxyphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108923197
tert-butyl N-[3-oxo-3-[[4-(prop-2-enoylamino)phenyl]methylamino]propyl]carbamate
CID 108920722
[3-[[4-(prop-2-enoylamino)phenyl]methylcarbamoyl]phenyl] acetate
CID 108928514

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide (CID 166421133) is N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)NCc2ccc(OCCC)cc2)cc1.
What is the InChIKey of N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide?
The InChIKey is FUHZGWSPWYVYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-13-26-19-11-7-17(8-12-19)15-22-21(25)14-16-5-9-18(10-6-16)23-20(24)4-2/h4-12H,2-3,13-15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide?
N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide has a molecular weight of 352.43 g/mol, XLogP of 3.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166421133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).