2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

C21H28N2O4 — CID 8550310

IUPAC2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)Cc1cc(OC)c(OC)cc1C
InChIInChI=1S/C21H28N2O4/c1-15-10-19(26-4)20(27-5)11-17(15)13-23(2)14-21(24)22-12-16-8-6-7-9-18(16)25-3/h6-11H,12-14H2,1-5H3,(H,22,24)
InChIKeyIKYSQRINUJJZIK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.77
Rot. Bonds9

About 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 8550310) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID8550310
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN(C)Cc1cc(OC)c(OC)cc1C
InChIInChI=1S/C21H28N2O4/c1-15-10-19(26-4)20(27-5)11-17(15)13-23(2)14-21(24)22-12-16-8-6-7-9-18(16)25-3/h6-11H,12-14H2,1-5H3,(H,22,24)
InChIKeyIKYSQRINUJJZIK-UHFFFAOYSA-N
XLogP2.77
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(3-phenylpropyl)acetamide
CID 8680286
2-[2-hydroxypropyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 62334688
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110780829
N-[2-(2-methoxyphenoxy)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8791050
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24566367
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(1R)-1-naphthalen-1-ylethyl]acetamide
CID 8680646
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9460688
N-[(2-methoxyphenyl)methyl]-2-(2,4,5-trimethylphenoxy)acetamide
CID 112978023
N-[(2-methoxyphenyl)methyl]-2-[methyl-[2-(4-methylphenoxy)ethyl]amino]acetamide
CID 41416179
methyl 4-[[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetyl]amino]benzoate
CID 8550669
N-(2,3-dichlorophenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550699
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]acetamide
CID 8550831

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 8550310) is 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN(C)Cc1cc(OC)c(OC)cc1C.
What is the InChIKey of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is IKYSQRINUJJZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-15-10-19(26-4)20(27-5)11-17(15)13-23(2)14-21(24)22-12-16-8-6-7-9-18(16)25-3/h6-11H,12-14H2,1-5H3,(H,22,24).
What are the key properties of 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8550310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).