N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide

C15H21NO3 — CID 166406189

IUPACN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(COCCOCC)c1C
InChIInChI=1S/C15H21NO3/c1-4-15(17)16-14-8-6-7-13(12(14)3)11-19-10-9-18-5-2/h4,6-8H,1,5,9-11H2,2-3H3,(H,16,17)
InChIKeyZHWQRORXODBBBI-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.67
Rot. Bonds8

About N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide

N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide (PubChem CID 166406189) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
PubChem CID166406189
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(COCCOCC)c1C
InChIInChI=1S/C15H21NO3/c1-4-15(17)16-14-8-6-7-13(12(14)3)11-19-10-9-18-5-2/h4,6-8H,1,5,9-11H2,2-3H3,(H,16,17)
InChIKeyZHWQRORXODBBBI-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide
CID 119810588
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119810587
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide
CID 119338953
N-[3-(fluoromethyl)-2-methylphenyl]prop-2-enamide
CID 122415346
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-methylpropanamide;hydrochloride
CID 119338952
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-(4-methylphenyl)acetamide
CID 120669002
2-amino-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-2-phenylpropanamide
CID 120593763
1-cyclohex-2-en-1-yl-3-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]urea
CID 71971050
4-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]oxane-4-carboxamide;hydrochloride
CID 120936001
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]morpholine-2-carboxamide
CID 119810610
2-(aminomethyl)-N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119810601
3-(2-ethoxyethoxymethyl)-2-methylaniline
CID 43509333

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide (CID 166406189) is N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide is C=CC(=O)Nc1cccc(COCCOCC)c1C.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide?
The InChIKey is ZHWQRORXODBBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-15(17)16-14-8-6-7-13(12(14)3)11-19-10-9-18-5-2/h4,6-8H,1,5,9-11H2,2-3H3,(H,16,17).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide?
N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide has a molecular weight of 263.34 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)-2-methylphenyl]prop-2-enamide is sourced from PubChem (CID 166406189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).