4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide

C21H25NO2 — CID 21173889

IUPAC4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OC
InChIInChI=1S/C21H25NO2/c1-6-8-16-13-17(11-12-19(16)24-5)21(23)22-20-15(4)9-7-10-18(20)14(2)3/h6-7,9-14H,1,8H2,2-5H3,(H,22,23)
InChIKeyWDHBROATIMFHNP-UHFFFAOYSA-N
MW323.44 g/mol
LogP5.11
Rot. Bonds6

About 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide

4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide (PubChem CID 21173889) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide
PubChem CID21173889
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide
SMILESC=CCc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OC
InChIInChI=1S/C21H25NO2/c1-6-8-16-13-17(11-12-19(16)24-5)21(23)22-20-15(4)9-7-10-18(20)14(2)3/h6-7,9-14H,1,8H2,2-5H3,(H,22,23)
InChIKeyWDHBROATIMFHNP-UHFFFAOYSA-N
XLogP5.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dichlorophenyl)-4-methoxy-3-prop-2-enylbenzamide
CID 21367438
4-(difluoromethoxy)-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 7919835
3-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)-4-propoxybenzamide
CID 26218687
methyl 2-[4-[[2,6-di(propan-2-yl)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55771702
1-N-(2-methoxyethyl)-3-N-(2-methyl-6-propan-2-ylphenyl)benzene-1,3-dicarboxamide
CID 109052582
2-(3,4-dimethoxyphenyl)-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]acetamide
CID 112997410
4-ethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 2701404
2,4-dimethoxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 844817
4-amino-3-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 107073896
4-(chloromethyl)-N-(2-methyl-6-propan-2-ylphenyl)benzamide
CID 43333467
(E)-3-(2-methoxy-5-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)prop-2-enamide
CID 9192417
4-butoxy-3-methoxy-N-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethoxy]benzamide
CID 29218680

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide?
The IUPAC name of 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide (CID 21173889) is 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide.
What is the SMILES notation for 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide?
The canonical SMILES for 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide is C=CCc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OC.
What is the InChIKey of 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide?
The InChIKey is WDHBROATIMFHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-6-8-16-13-17(11-12-19(16)24-5)21(23)22-20-15(4)9-7-10-18(20)14(2)3/h6-7,9-14H,1,8H2,2-5H3,(H,22,23).
What are the key properties of 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide?
4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide has a molecular weight of 323.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-methyl-6-propan-2-ylphenyl)-3-prop-2-enylbenzamide is sourced from PubChem (CID 21173889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).