N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide

C15H20N2O3 — CID 76857065

IUPACN-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-3-20-14-7-4-13(5-8-14)6-9-15(19)17-11-10-16-12(2)18/h4-9H,3,10-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOFAJQMVDMFZMAI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.35
Rot. Bonds7

About N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide

N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 76857065) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID76857065
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)NCCNC(C)=O)cc1
InChIInChI=1S/C15H20N2O3/c1-3-20-14-7-4-13(5-8-14)6-9-15(19)17-11-10-16-12(2)18/h4-9H,3,10-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyOFAJQMVDMFZMAI-UHFFFAOYSA-N
XLogP1.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32969433
4-[3-(4-ethoxyphenyl)prop-2-enoylamino]butanoic acid
CID 74868297
N-[3-(dimethylamino)propyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 78781263
(E)-3-(4-ethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9392326
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
3-[3-(4-ethoxyphenyl)prop-2-enoylamino]-2-methylpropanoic acid
CID 76953514
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
(E)-N-[2-(4-ethoxyphenoxy)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9022525
methyl (E)-3-[4-(2-acetamidoethoxy)phenyl]prop-2-enoate
CID 146673178
(E)-3-(4-ethoxyphenyl)-N-(2-methoxyethylcarbamothioyl)prop-2-enamide
CID 17227449
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 76857065) is N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)NCCNC(C)=O)cc1.
What is the InChIKey of N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is OFAJQMVDMFZMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-20-14-7-4-13(5-8-14)6-9-15(19)17-11-10-16-12(2)18/h4-9H,3,10-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide?
N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 276.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 76857065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).