3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide

C18H19NO4 — CID 27167629

IUPAC3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OC
InChIInChI=1S/C18H19NO4/c1-4-10-23-16-9-8-13(11-17(16)22-3)18(20)19-14-6-5-7-15(12-14)21-2/h4-9,11-12H,1,10H2,2-3H3,(H,19,20)
InChIKeyRUMQWUXOLRXNGP-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.52
Rot. Bonds7

About 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide

3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide (PubChem CID 27167629) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
PubChem CID27167629
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OC
InChIInChI=1S/C18H19NO4/c1-4-10-23-16-9-8-13(11-17(16)22-3)18(20)19-14-6-5-7-15(12-14)21-2/h4-9,11-12H,1,10H2,2-3H3,(H,19,20)
InChIKeyRUMQWUXOLRXNGP-UHFFFAOYSA-N
XLogP3.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.52
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-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
4-butoxy-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 26914609
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
CID 27284512
3-methoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-4-prop-2-enoxybenzamide
CID 126324319
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-(3-methoxyphenyl)benzamide
CID 4614010
3-methoxy-4-prop-2-enoxy-N-quinolin-3-ylbenzamide
CID 29330284
3-amino-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 16785828
3-methoxy-4-prop-2-enoxy-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55964259
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760
methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide (CID 27167629) is 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OC.
What is the InChIKey of 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide?
The InChIKey is RUMQWUXOLRXNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-4-10-23-16-9-8-13(11-17(16)22-3)18(20)19-14-6-5-7-15(12-14)21-2/h4-9,11-12H,1,10H2,2-3H3,(H,19,20).
What are the key properties of 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide has a molecular weight of 313.35 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 27167629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).