N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide

C22H23N3O3 — CID 149344692

IUPACN-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide
SMILESCc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C22H23N3O3/c1-13-6-5-9-15-16(20(25-19(13)15)14-7-3-2-4-8-14)10-11-18(27)24-21-17(26)12-23-22(21)28/h2-9,17,21,25-26H,10-12H2,1H3,(H,23,28)(H,24,27)/t17-,21+/m1/s1
InChIKeyYEVJSYXSOPRKRO-UTKZUKDTSA-N
MW377.44 g/mol
LogP2.05
Rot. Bonds5

About N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide

N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide (PubChem CID 149344692) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide
PubChem CID149344692
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide
SMILESCc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12
InChIInChI=1S/C22H23N3O3/c1-13-6-5-9-15-16(20(25-19(13)15)14-7-3-2-4-8-14)10-11-18(27)24-21-17(26)12-23-22(21)28/h2-9,17,21,25-26H,10-12H2,1H3,(H,23,28)(H,24,27)/t17-,21+/m1/s1
InChIKeyYEVJSYXSOPRKRO-UTKZUKDTSA-N
XLogP2.05
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide (CID 149344692) is N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide is Cc1cccc2c(CCC(=O)N[C@@H]3C(=O)NC[C@H]3O)c(-c3ccccc3)[nH]c12.
What is the InChIKey of N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide?
The InChIKey is YEVJSYXSOPRKRO-UTKZUKDTSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-6-5-9-15-16(20(25-19(13)15)14-7-3-2-4-8-14)10-11-18(27)24-21-17(26)12-23-22(21)28/h2-9,17,21,25-26H,10-12H2,1H3,(H,23,28)(H,24,27)/t17-,21+/m1/s1.
What are the key properties of N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide?
N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide has a molecular weight of 377.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-hydroxy-2-oxopyrrolidin-3-yl]-3-(7-methyl-2-phenyl-1H-indol-3-yl)propanamide is sourced from PubChem (CID 149344692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).