2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide

C20H22N2O2 — CID 177442093

IUPAC2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc(C(C(=O)N(C)C)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-21(2)20(23)19(14-9-11-15(24-4)12-10-14)17-13-22(3)18-8-6-5-7-16(17)18/h5-13,19H,1-4H3
InChIKeyISHVYACJXUEHGN-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.41
Rot. Bonds4

About 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide

2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide (PubChem CID 177442093) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide
PubChem CID177442093
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide
SMILESCOc1ccc(C(C(=O)N(C)C)c2cn(C)c3ccccc23)cc1
InChIInChI=1S/C20H22N2O2/c1-21(2)20(23)19(14-9-11-15(24-4)12-10-14)17-13-22(3)18-8-6-5-7-16(17)18/h5-13,19H,1-4H3
InChIKeyISHVYACJXUEHGN-UHFFFAOYSA-N
XLogP3.41
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N,N-dimethyl-2-(1-methylindol-3-yl)-2-phosphanylacetamide
CID 155048137
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-propylpropanamide
CID 42802923
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90490734
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90490882
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 42802929
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 46132027
methyl 2-(1-methylindol-3-yl)propanoate
CID 11117483
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 90490740
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-3-(1-methylindol-3-yl)propanamide
CID 42774682
1-(3,5-dimethoxyphenyl)-3-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]urea
CID 90490859
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide (CID 177442093) is 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide is COc1ccc(C(C(=O)N(C)C)c2cn(C)c3ccccc23)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide?
The InChIKey is ISHVYACJXUEHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21(2)20(23)19(14-9-11-15(24-4)12-10-14)17-13-22(3)18-8-6-5-7-16(17)18/h5-13,19H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide?
2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,N-dimethyl-2-(1-methylindol-3-yl)acetamide is sourced from PubChem (CID 177442093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).