2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide

C21H24N2O3 — CID 5049435

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC
InChIInChI=1S/C21H24N2O3/c1-14-9-17-10-16(5-7-18(17)23(14)2)13-22-21(24)12-15-6-8-19(25-3)20(11-15)26-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyWTTFRCKEOIXCCK-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.36
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide (PubChem CID 5049435) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide
PubChem CID5049435
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide
SMILESCOc1ccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC
InChIInChI=1S/C21H24N2O3/c1-14-9-17-10-16(5-7-18(17)23(14)2)13-22-21(24)12-15-6-8-19(25-3)20(11-15)26-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyWTTFRCKEOIXCCK-UHFFFAOYSA-N
XLogP3.36
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

TG4-155
CID 5886965
2-(1-Benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetamide
CID 244154
Ammtc
CID 5311004
N-[(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]butanamide
CID 10543296
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 787253
3-(3-methoxyphenyl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327709
N-[(3,4-Dimethoxyphenyl)methyl]-3-{1-[(2,5-dimethylphenyl)methyl]-1H-indol-3-YL}propanamide
CID 16019222
N-[(1,2-dimethyl-1H-indol-5-yl)methyl]-3-methoxybenzamide
CID 5064384
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]propanamide
CID 10041816
N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]butanamide
CID 10088388
N-(6-Methoxy-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-4-yl)-acetamide
CID 10265261

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide (CID 5049435) is 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide is COc1ccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
The InChIKey is WTTFRCKEOIXCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-9-17-10-16(5-7-18(17)23(14)2)13-22-21(24)12-15-6-8-19(25-3)20(11-15)26-4/h5-11H,12-13H2,1-4H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1,2-dimethylindol-5-yl)methyl]acetamide is sourced from PubChem (CID 5049435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).