(2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide

C19H26N4O3 — CID 56719551

IUPAC(2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H26N4O3/c1-3-21(4-2)17(24)16-11-14(20)12-23(16)19(26)18(25)22-10-9-13-7-5-6-8-15(13)22/h5-8,14,16H,3-4,9-12,20H2,1-2H3/t14-,16-/m0/s1
InChIKeyBUIMEDBQLZCLQY-HOCLYGCPSA-N
MW358.44 g/mol
LogP0.37
Rot. Bonds3

About (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide

(2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide (PubChem CID 56719551) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide
PubChem CID56719551
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)C(=O)N1CCc2ccccc21
InChIInChI=1S/C19H26N4O3/c1-3-21(4-2)17(24)16-11-14(20)12-23(16)19(26)18(25)22-10-9-13-7-5-6-8-15(13)22/h5-8,14,16H,3-4,9-12,20H2,1-2H3/t14-,16-/m0/s1
InChIKeyBUIMEDBQLZCLQY-HOCLYGCPSA-N
XLogP0.37
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2,3-dihydroindole-1-carboxamide
CID 2987329
2-(2,3-dihydroindol-1-yl)-N-ethyl-N-(2-hydroxyethyl)-2-oxoacetamide
CID 108525186
N-benzyl-2-(2,3-dihydroindole-1-carbonyl)-N-ethylcyclopropane-1-carboxamide
CID 109136782
2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014905
(2S,4R)-4-amino-N,N-diethyl-1-(1-methylcyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 56711990
2-(diethylamino)-1-(2,3-dihydroindol-1-yl)ethanone
CID 3028969
1-(2,3-dihydroindol-1-yl)-2-(3-methylpiperidin-1-yl)ethane-1,2-dione
CID 47335819
2,3-dihydroindole-1-carbothioic S-acid;propanamide
CID 87347076
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxyethyl)-N-methyl-2-oxoacetamide
CID 108526757
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide (CID 56719551) is (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](N)CN1C(=O)C(=O)N1CCc2ccccc21.
What is the InChIKey of (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide?
The InChIKey is BUIMEDBQLZCLQY-HOCLYGCPSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-21(4-2)17(24)16-11-14(20)12-23(16)19(26)18(25)22-10-9-13-7-5-6-8-15(13)22/h5-8,14,16H,3-4,9-12,20H2,1-2H3/t14-,16-/m0/s1.
What are the key properties of (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide?
(2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 56719551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).