2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

C26H30N2O3 — CID 4882071

IUPAC2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCOc1cccc(CN(C)C(C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1OC
InChIInChI=1S/C26H30N2O3/c1-18-14-15-19(2)22(16-18)27-26(29)24(20-10-7-6-8-11-20)28(3)17-21-12-9-13-23(30-4)25(21)31-5/h6-16,24H,17H2,1-5H3,(H,27,29)
InChIKeyWXIKIHATNJIKEP-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.13
Rot. Bonds8

About 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide

2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (PubChem CID 4882071) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
PubChem CID4882071
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Name2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
SMILESCOc1cccc(CN(C)C(C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1OC
InChIInChI=1S/C26H30N2O3/c1-18-14-15-19(2)22(16-18)27-26(29)24(20-10-7-6-8-11-20)28(3)17-21-12-9-13-23(30-4)25(21)31-5/h6-16,24H,17H2,1-5H3,(H,27,29)
InChIKeyWXIKIHATNJIKEP-UHFFFAOYSA-N
XLogP5.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-methoxy-5-methylphenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8516586
1-[(2,3-dimethoxyphenyl)methyl]-3-(2,5-dimethylphenyl)-1-methylthiourea
CID 8682696
N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 9103359
(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-2-phenylacetamide
CID 9434199
(2S)-2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 27245811
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-phenylacetamide
CID 16576213
(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
(2R)-2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 34714704
N-(2-ethoxyphenyl)-2-[(2-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 55351620
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 46630581

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The IUPAC name of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide (CID 4882071) is 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The canonical SMILES for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is COc1cccc(CN(C)C(C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1OC.
What is the InChIKey of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
The InChIKey is WXIKIHATNJIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-18-14-15-19(2)22(16-18)27-26(29)24(20-10-7-6-8-11-20)28(3)17-21-12-9-13-23(30-4)25(21)31-5/h6-16,24H,17H2,1-5H3,(H,27,29).
What are the key properties of 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide?
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide has a molecular weight of 418.54 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide is sourced from PubChem (CID 4882071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).