N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide

C18H21NO3 — CID 16876325

IUPACN-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)8-11-18(20)19-16-12-15(21-2)9-10-17(16)22-3/h4-7,9-10,12H,8,11H2,1-3H3,(H,19,20)
InChIKeyWBTPFDBBSIPSRR-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.58
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide

N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide (PubChem CID 16876325) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
PubChem CID16876325
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCc2ccc(C)cc2)c1
InChIInChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)8-11-18(20)19-16-12-15(21-2)9-10-17(16)22-3/h4-7,9-10,12H,8,11H2,1-3H3,(H,19,20)
InChIKeyWBTPFDBBSIPSRR-UHFFFAOYSA-N
XLogP3.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 1011774
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
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3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
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3-(3,4-diethoxyphenyl)-N-(2,5-dimethoxyphenyl)propanamide
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N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
3-(4-cyanophenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 41485539
4-methoxy-3-[3-(4-methoxyphenyl)propanoylamino]-N-methylbenzamide
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N-(2,5-dimethoxyphenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
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N-(4-methoxy-2-methylphenyl)-3-(4-methoxyphenyl)propanamide
CID 17173046
N-(2,5-dimethoxyphenyl)-3-[4-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 1211084
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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide (CID 16876325) is N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide is COc1ccc(OC)c(NC(=O)CCc2ccc(C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is WBTPFDBBSIPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-4-6-14(7-5-13)8-11-18(20)19-16-12-15(21-2)9-10-17(16)22-3/h4-7,9-10,12H,8,11H2,1-3H3,(H,19,20).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide?
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 16876325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).