N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide

C21H25NO3 — CID 46654068

IUPACN-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2ccc(CC)cc2)cc1OC
InChIInChI=1S/C21H25NO3/c1-5-13-25-19-12-11-18(14-20(19)24-4)21(23)22-15(3)17-9-7-16(6-2)8-10-17/h5,7-12,14-15H,1,6,13H2,2-4H3,(H,22,23)
InChIKeyQDGONIPHSAFJGA-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.31
Rot. Bonds8

About N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide

N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 46654068) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID46654068
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(C)c2ccc(CC)cc2)cc1OC
InChIInChI=1S/C21H25NO3/c1-5-13-25-19-12-11-18(14-20(19)24-4)21(23)22-15(3)17-9-7-16(6-2)8-10-17/h5,7-12,14-15H,1,6,13H2,2-4H3,(H,22,23)
InChIKeyQDGONIPHSAFJGA-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55454405
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 30035134
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119526888

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide (CID 46654068) is N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(C)c2ccc(CC)cc2)cc1OC.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is QDGONIPHSAFJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-13-25-19-12-11-18(14-20(19)24-4)21(23)22-15(3)17-9-7-16(6-2)8-10-17/h5,7-12,14-15H,1,6,13H2,2-4H3,(H,22,23).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide?
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 46654068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).