1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide

C24H27N3O2 — CID 56910824

IUPAC1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide
SMILESCc1c(C(=O)NC2CC(=O)N(CCc3ccccc3)C2)n(C)c2c(C)cccc12
InChIInChI=1S/C24H27N3O2/c1-16-8-7-11-20-17(2)23(26(3)22(16)20)24(29)25-19-14-21(28)27(15-19)13-12-18-9-5-4-6-10-18/h4-11,19H,12-15H2,1-3H3,(H,25,29)
InChIKeyAWZZVNZIGRMFMN-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.37
Rot. Bonds5

About 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide

1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide (PubChem CID 56910824) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide
PubChem CID56910824
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide
SMILESCc1c(C(=O)NC2CC(=O)N(CCc3ccccc3)C2)n(C)c2c(C)cccc12
InChIInChI=1S/C24H27N3O2/c1-16-8-7-11-20-17(2)23(26(3)22(16)20)24(29)25-19-14-21(28)27(15-19)13-12-18-9-5-4-6-10-18/h4-11,19H,12-15H2,1-3H3,(H,25,29)
InChIKeyAWZZVNZIGRMFMN-UHFFFAOYSA-N
XLogP3.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
N-[(3R)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-hydroxy-3-methylbenzamide
CID 95720011
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]but-2-ynamide
CID 45221745
6-methyl-N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 45246662
6-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 26394314
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 95723174
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95714998
5-methyl-N-[(3R)-5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]thiophene-2-carboxamide
CID 42527641

Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide?
The IUPAC name of 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide (CID 56910824) is 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide.
What is the SMILES notation for 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide?
The canonical SMILES for 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide is Cc1c(C(=O)NC2CC(=O)N(CCc3ccccc3)C2)n(C)c2c(C)cccc12.
What is the InChIKey of 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide?
The InChIKey is AWZZVNZIGRMFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-8-7-11-20-17(2)23(26(3)22(16)20)24(29)25-19-14-21(28)27(15-19)13-12-18-9-5-4-6-10-18/h4-11,19H,12-15H2,1-3H3,(H,25,29).
What are the key properties of 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide?
1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]indole-2-carboxamide is sourced from PubChem (CID 56910824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).