N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

C26H31N3O3 — CID 45192347

IUPACN-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NC(C)Cn3ccc4ccccc43)CCC(=O)N2)cc1
InChIInChI=1S/C26H31N3O3/c1-19(18-29-16-13-21-5-3-4-6-23(21)29)27-24(30)11-14-26(15-12-25(31)28-26)17-20-7-9-22(32-2)10-8-20/h3-10,13,16,19H,11-12,14-15,17-18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyUSILLDBDRMQUIP-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.83
Rot. Bonds9

About N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide

N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45192347) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45192347
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC NameN-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NC(C)Cn3ccc4ccccc43)CCC(=O)N2)cc1
InChIInChI=1S/C26H31N3O3/c1-19(18-29-16-13-21-5-3-4-6-23(21)29)27-24(30)11-14-26(15-12-25(31)28-26)17-20-7-9-22(32-2)10-8-20/h3-10,13,16,19H,11-12,14-15,17-18H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyUSILLDBDRMQUIP-UHFFFAOYSA-N
XLogP3.83
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
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CID 9929833
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
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Pci-34051
CID 24753719
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 9850771
GR 46611
CID 6160690
5-((4-(2-(1H-Indol-1-yl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione
CID 154005
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
c[L-Phe-D-pro-L-Tyr-D-trp]
CID 44583375
c[L-Tyr(OMe)-D-pro-L-Phe-D-trp]
CID 44583387

Frequently Asked Questions

What is the IUPAC name of N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 45192347) is N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1ccc(CC2(CCC(=O)NC(C)Cn3ccc4ccccc43)CCC(=O)N2)cc1.
What is the InChIKey of N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is USILLDBDRMQUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-19(18-29-16-13-21-5-3-4-6-23(21)29)27-24(30)11-14-26(15-12-25(31)28-26)17-20-7-9-22(32-2)10-8-20/h3-10,13,16,19H,11-12,14-15,17-18H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 433.55 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-indol-1-ylpropan-2-yl)-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45192347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).