N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C20H25NO4 — CID 113095853

IUPACN-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(C)C(=O)Cc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-14-7-6-8-15(9-14)12-19(22)21(2)13-16-10-17(23-3)20(25-5)18(11-16)24-4/h6-11H,12-13H2,1-5H3
InChIKeyOLPRKSFJWLAVBI-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.22
Rot. Bonds7

About N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 113095853) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID113095853
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(C)C(=O)Cc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-14-7-6-8-15(9-14)12-19(22)21(2)13-16-10-17(23-3)20(25-5)18(11-16)24-4/h6-11H,12-13H2,1-5H3
InChIKeyOLPRKSFJWLAVBI-UHFFFAOYSA-N
XLogP3.22
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 31145252
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7930585
methyl 3-[methyl-[(3-methylphenyl)methyl]amino]-3-oxopropanoate
CID 115174419
N-[(9-ethylcarbazol-3-yl)methyl]-N-methyl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17461704
2-(4-methoxy-3-methylphenyl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 100684189
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 100789894
2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]acetamide
CID 82125717
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 90854315
N-methyl-1-phenyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 100788749
3-methoxy-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 113095830
N-benzyl-N-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7598419
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 113095853) is N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CN(C)C(=O)Cc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is OLPRKSFJWLAVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-14-7-6-8-15(9-14)12-19(22)21(2)13-16-10-17(23-3)20(25-5)18(11-16)24-4/h6-11H,12-13H2,1-5H3.
What are the key properties of N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113095853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).