(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

C22H29N3O2 — CID 94139500

IUPAC(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c26-21(23-13-12-17-15-24-19-10-5-4-9-18(17)19)20-11-6-14-25(20)22(27)16-7-2-1-3-8-16/h4-5,9-10,15-16,20,24H,1-3,6-8,11-14H2,(H,23,26)/t20-/m1/s1
InChIKeyOMCWGYXXFKIJOP-HXUWFJFHSA-N
MW367.49 g/mol
LogP3.40
Rot. Bonds5

About (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 94139500) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID94139500
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c26-21(23-13-12-17-15-24-19-10-5-4-9-18(17)19)20-11-6-14-25(20)22(27)16-7-2-1-3-8-16/h4-5,9-10,15-16,20,24H,1-3,6-8,11-14H2,(H,23,26)/t20-/m1/s1
InChIKeyOMCWGYXXFKIJOP-HXUWFJFHSA-N
XLogP3.40
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 2-[2-(1H-indol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 175180660
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(cyclohexanecarbonyl)pyrrolidine-2-carboxamide
CID 71893595
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
1-(cyclopropanecarbonyl)-N-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 118776913
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017170
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide (CID 94139500) is (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCCN1C(=O)C1CCCCC1.
What is the InChIKey of (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is OMCWGYXXFKIJOP-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O2/c26-21(23-13-12-17-15-24-19-10-5-4-9-18(17)19)20-11-6-14-25(20)22(27)16-7-2-1-3-8-16/h4-5,9-10,15-16,20,24H,1-3,6-8,11-14H2,(H,23,26)/t20-/m1/s1.
What are the key properties of (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide?
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94139500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).