N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

C18H19N3O2 — CID 86285570

IUPACN-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C(=O)c1cccn1C
InChIInChI=1S/C18H19N3O2/c1-12-13(14-6-3-4-7-15(14)20-12)9-10-19-18(23)17(22)16-8-5-11-21(16)2/h3-8,11,20H,9-10H2,1-2H3,(H,19,23)
InChIKeyFPERYJZWGFHYEL-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.36
Rot. Bonds5

About N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (PubChem CID 86285570) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
PubChem CID86285570
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1CCNC(=O)C(=O)c1cccn1C
InChIInChI=1S/C18H19N3O2/c1-12-13(14-6-3-4-7-15(14)20-12)9-10-19-18(23)17(22)16-8-5-11-21(16)2/h3-8,11,20H,9-10H2,1-2H3,(H,19,23)
InChIKeyFPERYJZWGFHYEL-UHFFFAOYSA-N
XLogP2.36
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
2-(ethylamino)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115158041
1-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-phenylurea
CID 110775881
4-(3-methylimidazol-4-yl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 155128760
2-cyano-N-[2-(2-methyl-1H-indol-3-yl)ethyl]acetamide
CID 115173271
2-chloro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776329
4-(hydroxymethyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 54776348
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
3,5-dimethoxy-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 110789064

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide (CID 86285570) is N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is Cc1[nH]c2ccccc2c1CCNC(=O)C(=O)c1cccn1C.
What is the InChIKey of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
The InChIKey is FPERYJZWGFHYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-12-13(14-6-3-4-7-15(14)20-12)9-10-19-18(23)17(22)16-8-5-11-21(16)2/h3-8,11,20H,9-10H2,1-2H3,(H,19,23).
What are the key properties of N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide?
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide has a molecular weight of 309.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide is sourced from PubChem (CID 86285570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).