N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide

C20H22N2O3 — CID 71917845

IUPACN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(C)cc3ccccc32)cc1O
InChIInChI=1S/C20H22N2O3/c1-14-10-16-6-4-5-7-17(16)22(14)13-20(24)21(2)12-15-8-9-19(25-3)18(23)11-15/h4-11,23H,12-13H2,1-3H3
InChIKeyVREZKHQSGFKLRA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.32
Rot. Bonds5

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide

N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide (PubChem CID 71917845) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
PubChem CID71917845
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide
SMILESCOc1ccc(CN(C)C(=O)Cn2c(C)cc3ccccc32)cc1O
InChIInChI=1S/C20H22N2O3/c1-14-10-16-6-4-5-7-17(16)22(14)13-20(24)21(2)12-15-8-9-19(25-3)18(23)11-15/h4-11,23H,12-13H2,1-3H3
InChIKeyVREZKHQSGFKLRA-UHFFFAOYSA-N
XLogP3.32
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[methyl-[2-(2-methylindol-1-yl)acetyl]amino]propanoate
CID 61030565
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 119744992
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 17496098
3-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119301207
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18097985
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
N-methyl-N-(naphthalen-2-ylmethyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16621695
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 18115832
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 95121443
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17474837
1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-(3-methoxyphenyl)-1-methylurea
CID 87044605
2-(3,4-dimethoxyphenyl)-N-[2-(2-methylindol-1-yl)ethyl]acetamide
CID 4690489

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide (CID 71917845) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide is COc1ccc(CN(C)C(=O)Cn2c(C)cc3ccccc32)cc1O.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide?
The InChIKey is VREZKHQSGFKLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-14-10-16-6-4-5-7-17(16)22(14)13-20(24)21(2)12-15-8-9-19(25-3)18(23)11-15/h4-11,23H,12-13H2,1-3H3.
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methyl-2-(2-methylindol-1-yl)acetamide is sourced from PubChem (CID 71917845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).