N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide

C23H25N3O3 — CID 126788506

IUPACN-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)Cc3c[nH]c4c(C)cccc34)C2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-15-4-3-5-19-17(13-24-22(15)19)12-21(27)25-20-10-11-26(23(20)28)14-16-6-8-18(29-2)9-7-16/h3-9,13,20,24H,10-12,14H2,1-2H3,(H,25,27)
InChIKeyKWYZKBSUNBNGIG-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.94
Rot. Bonds6

About N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide

N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide (PubChem CID 126788506) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
PubChem CID126788506
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(CN2CCC(NC(=O)Cc3c[nH]c4c(C)cccc34)C2=O)cc1
InChIInChI=1S/C23H25N3O3/c1-15-4-3-5-19-17(13-24-22(15)19)12-21(27)25-20-10-11-26(23(20)28)14-16-6-8-18(29-2)9-7-16/h3-9,13,20,24H,10-12,14H2,1-2H3,(H,25,27)
InChIKeyKWYZKBSUNBNGIG-UHFFFAOYSA-N
XLogP2.94
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide;hydrochloride
CID 119328833
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-(methylamino)butanamide;hydrochloride
CID 119792938
3-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-phenylpropanamide
CID 119951734
(2R)-2-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]propanamide
CID 119328850
1-amino-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119328855
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-3-(1H-indol-3-yl)propanamide
CID 126778104
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
2-(aminomethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119792966
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
2-(2-aminoethyl)-N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634264
2-(1,2-benzoxazol-3-yl)-N-[1-[(4-methylphenyl)methyl]-2-oxopyrrolidin-3-yl]acetamide
CID 126792782

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide (CID 126788506) is N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide is COc1ccc(CN2CCC(NC(=O)Cc3c[nH]c4c(C)cccc34)C2=O)cc1.
What is the InChIKey of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide?
The InChIKey is KWYZKBSUNBNGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15-4-3-5-19-17(13-24-22(15)19)12-21(27)25-20-10-11-26(23(20)28)14-16-6-8-18(29-2)9-7-16/h3-9,13,20,24H,10-12,14H2,1-2H3,(H,25,27).
What are the key properties of N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide?
N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide has a molecular weight of 391.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-(7-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 126788506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).