(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide

C24H27N3O2 — CID 92633380

IUPAC(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)N1CC[C@H](C(=O)NCCc3ccccc3)C1)n2C
InChIInChI=1S/C24H27N3O2/c1-17-8-9-21-20(14-17)15-22(26(21)2)24(29)27-13-11-19(16-27)23(28)25-12-10-18-6-4-3-5-7-18/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyVCAVMRHPQVLSIN-IBGZPJMESA-N
MW389.50 g/mol
LogP3.31
Rot. Bonds5

About (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide

(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide (PubChem CID 92633380) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
PubChem CID92633380
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
SMILESCc1ccc2c(c1)cc(C(=O)N1CC[C@H](C(=O)NCCc3ccccc3)C1)n2C
InChIInChI=1S/C24H27N3O2/c1-17-8-9-21-20(14-17)15-22(26(21)2)24(29)27-13-11-19(16-27)23(28)25-12-10-18-6-4-3-5-7-18/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,28)/t19-/m0/s1
InChIKeyVCAVMRHPQVLSIN-IBGZPJMESA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633558
(3R)-1-(1-methyl-6-oxopyridine-3-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 92633580
(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
(3R)-1-(3,5-dimethylbenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94010780
1-(2,2-dimethylpropanoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 47984523
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
1-(1-acetylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45221291
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 16910175
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 124915385

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide (CID 92633380) is (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide is Cc1ccc2c(c1)cc(C(=O)N1CC[C@H](C(=O)NCCc3ccccc3)C1)n2C.
What is the InChIKey of (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
The InChIKey is VCAVMRHPQVLSIN-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-8-9-21-20(14-17)15-22(26(21)2)24(29)27-13-11-19(16-27)23(28)25-12-10-18-6-4-3-5-7-18/h3-9,14-15,19H,10-13,16H2,1-2H3,(H,25,28)/t19-/m0/s1.
What are the key properties of (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide?
(3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1,5-dimethylindole-2-carbonyl)-N-(2-phenylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 92633380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).