N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide

C20H22N2O3 — CID 146123058

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C20H22N2O3/c1-13(16-12-15(24-3)9-10-19(16)25-4)21-20(23)18-11-14-7-5-6-8-17(14)22(18)2/h5-13H,1-4H3,(H,21,23)
InChIKeyCCFXPKRAOMWVNG-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.69
Rot. Bonds5

About N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide (PubChem CID 146123058) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
PubChem CID146123058
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc3ccccc3n2C)c1
InChIInChI=1S/C20H22N2O3/c1-13(16-12-15(24-3)9-10-19(16)25-4)21-20(23)18-11-14-7-5-6-8-17(14)22(18)2/h5-13H,1-4H3,(H,21,23)
InChIKeyCCFXPKRAOMWVNG-UHFFFAOYSA-N
XLogP3.69
TPSA52.49 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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712170
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-iodobenzamide
CID 7366697
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
(2S)-2-[(5-methoxy-1-methylindole-2-carbonyl)amino]-3-methylbutanoate
CID 7070170
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9477309
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3,4-dimethylbenzamide
CID 9477021
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 133160272
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide (CID 146123058) is N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2cc3ccccc3n2C)c1.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide?
The InChIKey is CCFXPKRAOMWVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-13(16-12-15(24-3)9-10-19(16)25-4)21-20(23)18-11-14-7-5-6-8-17(14)22(18)2/h5-13H,1-4H3,(H,21,23).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 146123058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).