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

C18H19NO3 — CID 27284512

IUPAC3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H19NO3/c1-4-11-22-16-10-7-14(12-17(16)21-3)18(20)19-15-8-5-13(2)6-9-15/h4-10,12H,1,11H2,2-3H3,(H,19,20)
InChIKeyLKCUHIHUMFWXHN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.82
Rot. Bonds6

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

3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide (PubChem CID 27284512) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
PubChem CID27284512
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OC
InChIInChI=1S/C18H19NO3/c1-4-11-22-16-10-7-14(12-17(16)21-3)18(20)19-15-8-5-13(2)6-9-15/h4-10,12H,1,11H2,2-3H3,(H,19,20)
InChIKeyLKCUHIHUMFWXHN-UHFFFAOYSA-N
XLogP3.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.82
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

methyl 2-[[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]benzoyl]amino]acetate
CID 46516482
N-[4-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 42014838
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
3-methoxy-N-(3-methoxyphenyl)-4-prop-2-enoxybenzamide
CID 27167629
3-methoxy-N-(4-methyl-3-nitrophenyl)-4-prop-2-enoxybenzamide
CID 32689206
N-(3-iodophenyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 27284595
3-methoxy-N-(4-methylphenyl)-4-propan-2-yloxybenzamide
CID 6457881
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
3-methoxy-N-[(E)-[2-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-4-prop-2-enoxybenzamide
CID 126310382
3-iodo-4-methoxy-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952478
3-methoxy-4-prop-2-enoxy-N-quinolin-6-ylbenzamide
CID 60555760

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide (CID 27284512) is 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1OC.
What is the InChIKey of 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide?
The InChIKey is LKCUHIHUMFWXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-4-11-22-16-10-7-14(12-17(16)21-3)18(20)19-15-8-5-13(2)6-9-15/h4-10,12H,1,11H2,2-3H3,(H,19,20).
What are the key properties of 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide?
3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide has a molecular weight of 297.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-methylphenyl)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 27284512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).