3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide

C21H25NO4 — CID 24547727

IUPAC3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(CC)c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C21H25NO4/c1-5-13-26-19-12-9-16(14-20(19)25-4)21(23)22-18(6-2)15-7-10-17(24-3)11-8-15/h5,7-12,14,18H,1,6,13H2,2-4H3,(H,22,23)
InChIKeyKPCVLRBQCNXRJF-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.15
Rot. Bonds9

About 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide

3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide (PubChem CID 24547727) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
PubChem CID24547727
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC(CC)c2ccc(OC)cc2)cc1OC
InChIInChI=1S/C21H25NO4/c1-5-13-26-19-12-9-16(14-20(19)25-4)21(23)22-18(6-2)15-7-10-17(24-3)11-8-15/h5,7-12,14,18H,1,6,13H2,2-4H3,(H,22,23)
InChIKeyKPCVLRBQCNXRJF-UHFFFAOYSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-4-methoxybenzamide
CID 132651370
3-fluoro-4-methoxy-N-[(1R)-1-(4-methoxyphenyl)propyl]benzamide
CID 27853735
3-fluoro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 51199371
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzamide
CID 133210902
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
N-[1-(3,4-dimethoxyphenyl)propyl]-3,4-dimethylbenzamide
CID 133201858
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 46448222

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide (CID 24547727) is 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC(CC)c2ccc(OC)cc2)cc1OC.
What is the InChIKey of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide?
The InChIKey is KPCVLRBQCNXRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-5-13-26-19-12-9-16(14-20(19)25-4)21(23)22-18(6-2)15-7-10-17(24-3)11-8-15/h5,7-12,14,18H,1,6,13H2,2-4H3,(H,22,23).
What are the key properties of 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide?
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide has a molecular weight of 355.43 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 24547727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).