N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide

C23H25N3O2 — CID 26330947

IUPACN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1cc(CNC(=O)C[C@H]2CCC(=O)N2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C23H25N3O2/c1-14-10-17(13-24-21(28)12-18-8-9-20(27)25-18)23-19(11-14)15(2)22(26-23)16-6-4-3-5-7-16/h3-7,10-11,18,26H,8-9,12-13H2,1-2H3,(H,24,28)(H,25,27)/t18-/m1/s1
InChIKeyALQKITJCENUGFJ-GOSISDBHSA-N
MW375.47 g/mol
LogP3.74
Rot. Bonds5

About N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide

N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide (PubChem CID 26330947) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
PubChem CID26330947
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
SMILESCc1cc(CNC(=O)C[C@H]2CCC(=O)N2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C23H25N3O2/c1-14-10-17(13-24-21(28)12-18-8-9-20(27)25-18)23-19(11-14)15(2)22(26-23)16-6-4-3-5-7-16/h3-7,10-11,18,26H,8-9,12-13H2,1-2H3,(H,24,28)(H,25,27)/t18-/m1/s1
InChIKeyALQKITJCENUGFJ-GOSISDBHSA-N
XLogP3.74
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The IUPAC name of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide (CID 26330947) is N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide.
What is the SMILES notation for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The canonical SMILES for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide is Cc1cc(CNC(=O)C[C@H]2CCC(=O)N2)c2[nH]c(-c3ccccc3)c(C)c2c1.
What is the InChIKey of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
The InChIKey is ALQKITJCENUGFJ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-14-10-17(13-24-21(28)12-18-8-9-20(27)25-18)23-19(11-14)15(2)22(26-23)16-6-4-3-5-7-16/h3-7,10-11,18,26H,8-9,12-13H2,1-2H3,(H,24,28)(H,25,27)/t18-/m1/s1.
What are the key properties of N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide?
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 3.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide is sourced from PubChem (CID 26330947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).