N-(3,4-diethoxyphenyl)prop-2-enamide

C13H17NO3 — CID 43616319

IUPACN-(3,4-diethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H17NO3/c1-4-13(15)14-10-7-8-11(16-5-2)12(9-10)17-6-3/h4,7-9H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyBQCCKHSMYKYFBI-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.61
Rot. Bonds6

About N-(3,4-diethoxyphenyl)prop-2-enamide

N-(3,4-diethoxyphenyl)prop-2-enamide (PubChem CID 43616319) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)prop-2-enamide
PubChem CID43616319
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(3,4-diethoxyphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C13H17NO3/c1-4-13(15)14-10-7-8-11(16-5-2)12(9-10)17-6-3/h4,7-9H,1,5-6H2,2-3H3,(H,14,15)
InChIKeyBQCCKHSMYKYFBI-UHFFFAOYSA-N
XLogP2.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
[2-dodecoxy-5-(prop-2-enoylamino)phenyl] methanesulfonate
CID 175493503
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
N-[4-(4-ethoxyanilino)phenyl]prop-2-enamide
CID 19795365
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 2452185
N'-tert-butyl-N-(3,4-diethoxyphenyl)oxamide
CID 108506834
1-(3,4-diethoxyphenyl)prop-2-en-1-one
CID 114982504
[2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-(2-methylprop-2-enyl)azanium
CID 8818719

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3,4-diethoxyphenyl)prop-2-enamide (CID 43616319) is N-(3,4-diethoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)prop-2-enamide is C=CC(=O)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-(3,4-diethoxyphenyl)prop-2-enamide?
The InChIKey is BQCCKHSMYKYFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-4-13(15)14-10-7-8-11(16-5-2)12(9-10)17-6-3/h4,7-9H,1,5-6H2,2-3H3,(H,14,15).
What are the key properties of N-(3,4-diethoxyphenyl)prop-2-enamide?
N-(3,4-diethoxyphenyl)prop-2-enamide has a molecular weight of 235.28 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 43616319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).