(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide

C21H28N4O2 — CID 56722736

IUPAC(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)C2CCC2)C[C@H]1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H28N4O2/c1-25-13-16(24-20(26)14-5-4-6-14)11-19(25)21(27)22-10-9-15-12-23-18-8-3-2-7-17(15)18/h2-3,7-8,12,14,16,19,23H,4-6,9-11,13H2,1H3,(H,22,27)(H,24,26)/t16-,19-/m0/s1
InChIKeyUVPAORVOZOXGLA-LPHOPBHVSA-N
MW368.48 g/mol
LogP1.82
Rot. Bonds6

About (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide

(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 56722736) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID56722736
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@@H](NC(=O)C2CCC2)C[C@H]1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H28N4O2/c1-25-13-16(24-20(26)14-5-4-6-14)11-19(25)21(27)22-10-9-15-12-23-18-8-3-2-7-17(15)18/h2-3,7-8,12,14,16,19,23H,4-6,9-11,13H2,1H3,(H,22,27)(H,24,26)/t16-,19-/m0/s1
InChIKeyUVPAORVOZOXGLA-LPHOPBHVSA-N
XLogP1.82
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
(2R)-1-(cyclohexanecarbonyl)-N-[2-(1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
CID 94139500
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
tert-butyl (2R)-2-[2-(1H-indol-3-yl)ethylcarbamoyl]pyrrolidine-1-carboxylate
CID 36769023
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
(2S)-1-(benzenesulfonyl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxamide
CID 35769793
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146249
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide (CID 56722736) is (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide is CN1C[C@@H](NC(=O)C2CCC2)C[C@H]1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is UVPAORVOZOXGLA-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-25-13-16(24-20(26)14-5-4-6-14)11-19(25)21(27)22-10-9-15-12-23-18-8-3-2-7-17(15)18/h2-3,7-8,12,14,16,19,23H,4-6,9-11,13H2,1H3,(H,22,27)(H,24,26)/t16-,19-/m0/s1.
What are the key properties of (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(cyclobutanecarbonylamino)-N-[2-(1H-indol-3-yl)ethyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56722736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).