1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C29H29N3O3 — CID 43007534

IUPAC1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H29N3O3/c1-35-23-13-11-21(12-14-23)25(26-17-30-27-10-6-5-9-24(26)27)16-31-29(34)22-15-28(33)32(19-22)18-20-7-3-2-4-8-20/h2-14,17,22,25,30H,15-16,18-19H2,1H3,(H,31,34)
InChIKeyAGQGNTWRCBBUHE-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.47
Rot. Bonds8

About 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 43007534) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID43007534
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C29H29N3O3/c1-35-23-13-11-21(12-14-23)25(26-17-30-27-10-6-5-9-24(26)27)16-31-29(34)22-15-28(33)32(19-22)18-20-7-3-2-4-8-20/h2-14,17,22,25,30H,15-16,18-19H2,1H3,(H,31,34)
InChIKeyAGQGNTWRCBBUHE-UHFFFAOYSA-N
XLogP4.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55790068
N-benzyl-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109695
(3S)-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]oxolane-3-carboxamide
CID 52508334
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]azetidine-2-carboxamide
CID 167880363
1-benzyl-N-[(4-methoxyphenyl)-phenylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 46527621
3-amino-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119681087
2-(2,5-dioxopyrrolidin-1-yl)-N-[(2R)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]acetamide
CID 9006913
1-benzyl-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18074627
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
(2R,4S)-4-hydroxy-N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 124587680
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 4835102
(3R)-N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 96998716

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 43007534) is 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(C(CNC(=O)C2CC(=O)N(Cc3ccccc3)C2)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AGQGNTWRCBBUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-35-23-13-11-21(12-14-23)25(26-17-30-27-10-6-5-9-24(26)27)16-31-29(34)22-15-28(33)32(19-22)18-20-7-3-2-4-8-20/h2-14,17,22,25,30H,15-16,18-19H2,1H3,(H,31,34).
What are the key properties of 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43007534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).