N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide

C22H29N3O3 — CID 8788835

IUPACN-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C22H29N3O3/c1-16-8-6-9-17(2)22(16)23-20(26)14-25(4)21(27)15-24(3)13-18-10-7-11-19(12-18)28-5/h6-12H,13-15H2,1-5H3,(H,23,26)
InChIKeyARBHHABYWYVJPB-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.84
Rot. Bonds8

About N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide

N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide (PubChem CID 8788835) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
PubChem CID8788835
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1
InChIInChI=1S/C22H29N3O3/c1-16-8-6-9-17(2)22(16)23-20(26)14-25(4)21(27)15-24(3)13-18-10-7-11-19(12-18)28-5/h6-12H,13-15H2,1-5H3,(H,23,26)
InChIKeyARBHHABYWYVJPB-UHFFFAOYSA-N
XLogP2.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 9221864
N-(2,6-dimethylphenyl)-2-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide
CID 8695010
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
N-(3-methoxyphenyl)-2-[methyl-[2-[methyl(naphthalen-2-ylmethyl)amino]acetyl]amino]acetamide
CID 8599943
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
N-(3-chloro-4-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794634
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
N-(2,6-dimethylphenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 8799242
N-[(3-methoxyphenyl)methyl]-N-methyl-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetamide
CID 78787985

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide (CID 8788835) is N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide is COc1cccc(CN(C)CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
The InChIKey is ARBHHABYWYVJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-16-8-6-9-17(2)22(16)23-20(26)14-25(4)21(27)15-24(3)13-18-10-7-11-19(12-18)28-5/h6-12H,13-15H2,1-5H3,(H,23,26).
What are the key properties of N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide?
N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide has a molecular weight of 383.49 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]-methylamino]acetamide is sourced from PubChem (CID 8788835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).