N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide

C23H25N3O3 — CID 110286403

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCCC2)c1
InChIInChI=1S/C23H25N3O3/c1-29-18-8-6-7-16(13-18)22(27)25-21(23(28)26-11-4-5-12-26)14-17-15-24-20-10-3-2-9-19(17)20/h2-3,6-10,13,15,21,24H,4-5,11-12,14H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyHNZXUHCSSDGHJB-NRFANRHFSA-N
MW391.47 g/mol
LogP3.14
Rot. Bonds6

About N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide (PubChem CID 110286403) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
PubChem CID110286403
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCCC2)c1
InChIInChI=1S/C23H25N3O3/c1-29-18-8-6-7-16(13-18)22(27)25-21(23(28)26-11-4-5-12-26)14-17-15-24-20-10-3-2-9-19(17)20/h2-3,6-10,13,15,21,24H,4-5,11-12,14H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyHNZXUHCSSDGHJB-NRFANRHFSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2-methoxybenzamide
CID 110286402
3-methoxy-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347364
phenyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110286456
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylbenzamide
CID 110286442
methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
CID 644217
2-(1H-indol-3-yl)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 47090271
methyl (2R)-3-(1H-indol-3-yl)-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]propanoate
CID 2508993
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-phenylsulfanylacetamide
CID 42698658
N-[(2S)-1-hydrazinyl-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-methoxybenzamide
CID 7596511

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide (CID 110286403) is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCCC2)c1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide?
The InChIKey is HNZXUHCSSDGHJB-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-18-8-6-7-16(13-18)22(27)25-21(23(28)26-11-4-5-12-26)14-17-15-24-20-10-3-2-9-19(17)20/h2-3,6-10,13,15,21,24H,4-5,11-12,14H2,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide?
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 110286403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).