N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide

C21H23N3O3 — CID 39314062

IUPACN-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
SMILESCOc1ccccc1CC(=O)NCCNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C21H23N3O3/c1-24-17-9-5-3-7-15(17)13-18(24)21(26)23-12-11-22-20(25)14-16-8-4-6-10-19(16)27-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQDFZMYQYDZUEBF-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.28
Rot. Bonds7

About N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide

N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide (PubChem CID 39314062) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
PubChem CID39314062
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide
SMILESCOc1ccccc1CC(=O)NCCNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C21H23N3O3/c1-24-17-9-5-3-7-15(17)13-18(24)21(26)23-12-11-22-20(25)14-16-8-4-6-10-19(16)27-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQDFZMYQYDZUEBF-UHFFFAOYSA-N
XLogP2.28
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-[3-(dimethylamino)propyl]-1-methylindole-2-carboxamide
CID 110468895
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-(2-hydroxyethyl)-2-(2-methoxyphenyl)acetamide
CID 43388864
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-methylindole-2-carboxamide
CID 55876041
2-(2-methoxyphenyl)-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]acetamide
CID 110791950
3-[(1-methylindole-2-carbonyl)amino]propyl benzoate
CID 167310083
N-ethyl-2-(2-methoxyphenyl)acetamide
CID 3376729
N-[2-(4-fluorophenyl)sulfonylethyl]-1-methylindole-2-carboxamide
CID 71708611
3-[(1-methylindole-2-carbonyl)amino]propyl butanoate
CID 167310044
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide (CID 39314062) is N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide is COc1ccccc1CC(=O)NCCNC(=O)c1cc2ccccc2n1C.
What is the InChIKey of N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide?
The InChIKey is QDFZMYQYDZUEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24-17-9-5-3-7-15(17)13-18(24)21(26)23-12-11-22-20(25)14-16-8-4-6-10-19(16)27-2/h3-10,13H,11-12,14H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide?
N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 39314062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).