N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

C24H27N3O3 — CID 46604603

IUPACN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cccc(C(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)N2CCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-16-22(19-10-3-4-11-20(19)26-16)23(28)24(29)25-15-21(27-12-5-6-13-27)17-8-7-9-18(14-17)30-2/h3-4,7-11,14,21,26H,5-6,12-13,15H2,1-2H3,(H,25,29)
InChIKeyNKJVRIJOJDQTQV-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.62
Rot. Bonds7

About N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (PubChem CID 46604603) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
PubChem CID46604603
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1cccc(C(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)N2CCCC2)c1
InChIInChI=1S/C24H27N3O3/c1-16-22(19-10-3-4-11-20(19)26-16)23(28)24(29)25-15-21(27-12-5-6-13-27)17-8-7-9-18(14-17)30-2/h3-4,7-11,14,21,26H,5-6,12-13,15H2,1-2H3,(H,25,29)
InChIKeyNKJVRIJOJDQTQV-UHFFFAOYSA-N
XLogP3.62
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46521724
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide
CID 60553433
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,2-dimethylpropanamide
CID 134026624
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953
(2R)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one
CID 8592237
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-1H-indazole-3-carboxamide
CID 78859024
(2S)-2-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylpentanamide
CID 119832228
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
2-(2-methoxyethylamino)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832222
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide (CID 46604603) is N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is COc1cccc(C(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)N2CCCC2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is NKJVRIJOJDQTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-22(19-10-3-4-11-20(19)26-16)23(28)24(29)25-15-21(27-12-5-6-13-27)17-8-7-9-18(14-17)30-2/h3-4,7-11,14,21,26H,5-6,12-13,15H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide?
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 405.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 46604603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).