N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide

C24H27N3O2 — CID 83282691

IUPACN-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
SMILESCCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C24H27N3O2/c1-4-27-21-10-9-20(25-23(28)18-8-7-16(2)17(3)13-18)14-19(21)15-22(27)24(29)26-11-5-6-12-26/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,28)
InChIKeyPJVYJCCGVHMJGY-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.77
Rot. Bonds4

About N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide

N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide (PubChem CID 83282691) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
PubChem CID83282691
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide
SMILESCCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21
InChIInChI=1S/C24H27N3O2/c1-4-27-21-10-9-20(25-23(28)18-8-7-16(2)17(3)13-18)14-19(21)15-22(27)24(29)26-11-5-6-12-26/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,28)
InChIKeyPJVYJCCGVHMJGY-UHFFFAOYSA-N
XLogP4.77
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-[1-(3-methylbutyl)-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83280162
2-benzylsulfanyl-N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 83282695
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
1-ethyl-N,N-dimethyl-2-(pyrrolidine-1-carbonyl)indole-5-sulfonamide
CID 50801918
1-ethyl-5-[(4-methylbenzoyl)amino]-N-(2-morpholin-4-ylethyl)indole-2-carboxamide
CID 83288364
2-chloro-N-[1-[(3-methylphenyl)methyl]-2-(pyrrolidine-1-carbonyl)indol-5-yl]benzamide
CID 42808853
4-methoxy-3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 155705964
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-3,4-dimethylbenzamide
CID 833887
3-iodo-4-methyl-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167470
3-(azepane-1-carbonyl)-N-(3-chloro-4-methylphenyl)benzamide
CID 109056704
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724
5-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-3-carboxamide
CID 2970344

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide?
The IUPAC name of N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide (CID 83282691) is N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide is CCn1c(C(=O)N2CCCC2)cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21.
What is the InChIKey of N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide?
The InChIKey is PJVYJCCGVHMJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-4-27-21-10-9-20(25-23(28)18-8-7-16(2)17(3)13-18)14-19(21)15-22(27)24(29)26-11-5-6-12-26/h7-10,13-15H,4-6,11-12H2,1-3H3,(H,25,28).
What are the key properties of N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide?
N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide has a molecular weight of 389.50 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-2-(pyrrolidine-1-carbonyl)indol-5-yl]-3,4-dimethylbenzamide is sourced from PubChem (CID 83282691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).