2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

C18H22N2O3 — CID 8901253

IUPAC2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-20(12-14-7-5-4-6-8-14)13-18(21)19-15-9-10-16(22-2)17(11-15)23-3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyFFNMMQKHMIAQCD-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.77
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide

2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 8901253) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID8901253
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C18H22N2O3/c1-20(12-14-7-5-4-6-8-14)13-18(21)19-15-9-10-16(22-2)17(11-15)23-3/h4-11H,12-13H2,1-3H3,(H,19,21)
InChIKeyFFNMMQKHMIAQCD-UHFFFAOYSA-N
XLogP2.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 9199146
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 9058399
2-[2-[benzyl(methyl)amino]ethyl]-1-(3,4-dimethoxyphenyl)guanidine
CID 111078731
N-(4-fluorophenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434497
2-[benzyl(methyl)amino]-N-(3,5-difluoro-4-methoxyphenyl)acetamide
CID 86861767
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
CID 24815737
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
2-[benzyl(methyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 8900913
2-(N-acetylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 113167201
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126058112
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide (CID 8901253) is 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)CN(C)Cc2ccccc2)cc1OC.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is FFNMMQKHMIAQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(12-14-7-5-4-6-8-14)13-18(21)19-15-9-10-16(22-2)17(11-15)23-3/h4-11H,12-13H2,1-3H3,(H,19,21).
What are the key properties of 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 314.39 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 8901253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).