3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C21H27NO5 — CID 100642767

IUPAC3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C21H27NO5/c1-14-10-15(6-8-17(14)24-2)7-9-20(23)22-13-16-11-18(25-3)21(27-5)19(12-16)26-4/h6,8,10-12H,7,9,13H2,1-5H3,(H,22,23)
InChIKeyBWNTUGYOKVCVES-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.28
Rot. Bonds9

About 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 100642767) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID100642767
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C
InChIInChI=1S/C21H27NO5/c1-14-10-15(6-8-17(14)24-2)7-9-20(23)22-13-16-11-18(25-3)21(27-5)19(12-16)26-4/h6,8,10-12H,7,9,13H2,1-5H3,(H,22,23)
InChIKeyBWNTUGYOKVCVES-UHFFFAOYSA-N
XLogP3.28
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 16574584
3-[3-(4-methoxy-3-methylphenyl)propanoylamino]propanoic acid
CID 110835538
N-(cyclohexen-1-ylmethyl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100542510
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxy-3-methylphenyl)propanamide
CID 100541611
3-(2,3-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483500
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
3-(3,4-dimethoxyphenyl)-N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]propanamide
CID 46764441
N-(2,4-dimethylpentan-3-yl)-3-(4-methoxy-3-methylphenyl)propanamide
CID 100749422
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methylphenyl)propanamide
CID 110755878
ethyl 4-oxo-4-[(3,4,5-trimethoxyphenyl)methylamino]butanoate
CID 8529703
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]butanamide
CID 108574268

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 100642767) is 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1ccc(CCC(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C.
What is the InChIKey of 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is BWNTUGYOKVCVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-14-10-15(6-8-17(14)24-2)7-9-20(23)22-13-16-11-18(25-3)21(27-5)19(12-16)26-4/h6,8,10-12H,7,9,13H2,1-5H3,(H,22,23).
What are the key properties of 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 100642767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).