2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

C22H29N3O4 — CID 9058226

IUPAC2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)NCC(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C22H29N3O4/c1-15-7-6-8-18(16(15)2)24-21(26)12-23-22(27)14-25(3)13-17-9-10-19(28-4)20(11-17)29-5/h6-11H,12-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyOQHPCSXMEAUOQQ-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.51
Rot. Bonds9

About 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide

2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9058226) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9058226
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC Name2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide
SMILESCOc1ccc(CN(C)CC(=O)NCC(=O)Nc2cccc(C)c2C)cc1OC
InChIInChI=1S/C22H29N3O4/c1-15-7-6-8-18(16(15)2)24-21(26)12-23-22(27)14-25(3)13-17-9-10-19(28-4)20(11-17)29-5/h6-11H,12-14H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyOQHPCSXMEAUOQQ-UHFFFAOYSA-N
XLogP2.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylamino]acetamide
CID 9434477
3-(3,4-dimethoxyphenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]propanamide
CID 26660572
[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968949
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
N-(3,4-difluorophenyl)-2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]acetamide
CID 8845299
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 8553749
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18085894
N-[(3,4-dimethoxyphenyl)methyl]-2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]propanamide
CID 55432537

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide (CID 9058226) is 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is COc1ccc(CN(C)CC(=O)NCC(=O)Nc2cccc(C)c2C)cc1OC.
What is the InChIKey of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is OQHPCSXMEAUOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15-7-6-8-18(16(15)2)24-21(26)12-23-22(27)14-25(3)13-17-9-10-19(28-4)20(11-17)29-5/h6-11H,12-14H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide?
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 399.49 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9058226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).