N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide

C14H17NO3 — CID 72805670

IUPACN-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide
SMILESCCOC=CC(=O)c1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C14H17NO3/c1-4-18-9-8-14(17)12-6-5-7-13(10-12)15(3)11(2)16/h5-10H,4H2,1-3H3
InChIKeyUHGXZOZDRZLZJK-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.40
Rot. Bonds5

About N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide

N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide (PubChem CID 72805670) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide
PubChem CID72805670
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC NameN-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide
SMILESCCOC=CC(=O)c1cccc(N(C)C(C)=O)c1
InChIInChI=1S/C14H17NO3/c1-4-18-9-8-14(17)12-6-5-7-13(10-12)15(3)11(2)16/h5-10H,4H2,1-3H3
InChIKeyUHGXZOZDRZLZJK-UHFFFAOYSA-N
XLogP2.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromophenyl)-3-ethoxyprop-2-en-1-one
CID 76951500
N-[3-[(E)-3-ethoxyprop-2-enoyl]phenyl]acetamide
CID 22892049
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-(trideuteriomethyl)acetamide
CID 91422730
(E)-3-ethoxy-N-methyl-N-phenylprop-2-enamide
CID 155272474
N-[3-[(3E)-4-(dimethylamino)buta-1,3-dien-2-yl]phenyl]-N-methylacetamide
CID 142044368
(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-ethoxyprop-2-en-1-one
CID 55227045
1-(3,4-dipropoxyphenyl)-3-ethoxyprop-2-en-1-one
CID 76951288
3-ethoxy-1-thiophen-3-ylprop-2-en-1-one
CID 76951467
diethyl 2-[2-(N,3-dimethylanilino)-2-oxoethylidene]propanedioate
CID 11438562
N,N'-bis[3-[acetyl(methyl)amino]phenyl]pentanediamide
CID 46762249
N-[3-(aminomethyl)phenyl]-N-methylacetamide
CID 2760942
N-[3-[3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylethanesulfonamide
CID 67195903

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide (CID 72805670) is N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide is CCOC=CC(=O)c1cccc(N(C)C(C)=O)c1.
What is the InChIKey of N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide?
The InChIKey is UHGXZOZDRZLZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-4-18-9-8-14(17)12-6-5-7-13(10-12)15(3)11(2)16/h5-10H,4H2,1-3H3.
What are the key properties of N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide?
N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide has a molecular weight of 247.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxyprop-2-enoyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 72805670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).