N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide

C12H16N2O2 — CID 144945508

IUPACN-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC)cc1NCC
InChIInChI=1S/C12H16N2O2/c1-4-12(15)14-10-7-6-9(16-3)8-11(10)13-5-2/h4,6-8,13H,1,5H2,2-3H3,(H,14,15)
InChIKeyHCYPNYJHEMMWDB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide

N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide (PubChem CID 144945508) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide
PubChem CID144945508
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OC)cc1NCC
InChIInChI=1S/C12H16N2O2/c1-4-12(15)14-10-7-6-9(16-3)8-11(10)13-5-2/h4,6-8,13H,1,5H2,2-3H3,(H,14,15)
InChIKeyHCYPNYJHEMMWDB-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.25
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-(2,5-dimethoxyphenyl)prop-2-enamide
CID 881958
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606
2-bromo-N-ethyl-4-methoxyaniline
CID 130675906
N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 167861168
S-methyl 2-(ethylamino)-4-methoxybenzenecarbothioate
CID 14626447
S-methyl 2-(ethylamino)-5-methoxybenzenecarbothioate
CID 66490836
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-(2,6-dimethoxy-3-pyridinyl)prop-2-enamide
CID 138105998
N-[4-methoxy-2-(2-phenylethylamino)phenyl]acetamide
CID 75438254
N-(3-methoxy-2,4-dimethylphenyl)prop-2-enamide
CID 43696159
N-(2-chloro-5-methoxyphenyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81237548
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide?
The IUPAC name of N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide (CID 144945508) is N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide?
The canonical SMILES for N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide is C=CC(=O)Nc1ccc(OC)cc1NCC.
What is the InChIKey of N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide?
The InChIKey is HCYPNYJHEMMWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-12(15)14-10-7-6-9(16-3)8-11(10)13-5-2/h4,6-8,13H,1,5H2,2-3H3,(H,14,15).
What are the key properties of N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide?
N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide has a molecular weight of 220.27 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-4-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 144945508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).