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

C29H31N3O3 — CID 45200380

IUPACN-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCCn3ccc4ccccc43)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C29H31N3O3/c1-35-26-11-10-22(23-7-3-4-8-24(23)26)20-29(16-13-28(34)31-29)15-12-27(33)30-17-19-32-18-14-21-6-2-5-9-25(21)32/h2-11,14,18H,12-13,15-17,19-20H2,1H3,(H,30,33)(H,31,34)
InChIKeyXNSYIOZTLGGOCZ-UHFFFAOYSA-N
MW469.59 g/mol
LogP4.59
Rot. Bonds9

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

N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide (PubChem CID 45200380) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
PubChem CID45200380
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide
SMILESCOc1ccc(CC2(CCC(=O)NCCn3ccc4ccccc43)CCC(=O)N2)c2ccccc12
InChIInChI=1S/C29H31N3O3/c1-35-26-11-10-22(23-7-3-4-8-24(23)26)20-29(16-13-28(34)31-29)15-12-27(33)30-17-19-32-18-14-21-6-2-5-9-25(21)32/h2-11,14,18H,12-13,15-17,19-20H2,1H3,(H,30,33)(H,31,34)
InChIKeyXNSYIOZTLGGOCZ-UHFFFAOYSA-N
XLogP4.59
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The IUPAC name of N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide (CID 45200380) is N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide is COc1ccc(CC2(CCC(=O)NCCn3ccc4ccccc43)CCC(=O)N2)c2ccccc12.
What is the InChIKey of N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
The InChIKey is XNSYIOZTLGGOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-35-26-11-10-22(23-7-3-4-8-24(23)26)20-29(16-13-28(34)31-29)15-12-27(33)30-17-19-32-18-14-21-6-2-5-9-25(21)32/h2-11,14,18H,12-13,15-17,19-20H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide?
N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide has a molecular weight of 469.59 g/mol, XLogP of 4.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-3-[2-[(4-methoxynaphthalen-1-yl)methyl]-5-oxopyrrolidin-2-yl]propanamide is sourced from PubChem (CID 45200380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).