3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide

C15H21NO2 — CID 73010710

IUPAC3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
SMILESCCOc1ccc(C=CC(=O)N(CC)CC)cc1
InChIInChI=1S/C15H21NO2/c1-4-16(5-2)15(17)12-9-13-7-10-14(11-8-13)18-6-3/h7-12H,4-6H2,1-3H3
InChIKeyHFUHFIVEACOPRF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.97
Rot. Bonds6

About 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide

3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide (PubChem CID 73010710) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
PubChem CID73010710
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide
SMILESCCOc1ccc(C=CC(=O)N(CC)CC)cc1
InChIInChI=1S/C15H21NO2/c1-4-16(5-2)15(17)12-9-13-7-10-14(11-8-13)18-6-3/h7-12H,4-6H2,1-3H3
InChIKeyHFUHFIVEACOPRF-UHFFFAOYSA-N
XLogP2.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61007958
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-propylamino]acetic acid
CID 61012497
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-methylamino]acetic acid
CID 43092174
3-(4-ethoxyphenyl)prop-2-enoic acid;hydrochloride
CID 70257337
(E)-3-[4-(methoxymethoxy)phenyl]-N,N-dipropylprop-2-enamide
CID 110498588
methyl (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 13208556
2-[3-(4-ethoxyphenyl)prop-2-enoyl-methylamino]butanoic acid
CID 76930450
3-[benzyl-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]propanamide
CID 28642606
(Z)-3-[4-(diethylamino)phenyl]-1-(4-ethoxyphenyl)prop-2-en-1-one
CID 54604270
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide (CID 73010710) is 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide is CCOc1ccc(C=CC(=O)N(CC)CC)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide?
The InChIKey is HFUHFIVEACOPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-16(5-2)15(17)12-9-13-7-10-14(11-8-13)18-6-3/h7-12H,4-6H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide?
3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N,N-diethylprop-2-enamide is sourced from PubChem (CID 73010710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).