(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide

C18H25N3O2 — CID 92721994

IUPAC(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESC[C@@H](C(=O)NCCCN1CCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H25N3O2/c1-14(17(22)19-9-6-12-20-10-4-5-11-20)21-13-15-7-2-3-8-16(15)18(21)23/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyFPZMIZCGNDCAHL-AWEZNQCLSA-N
MW315.42 g/mol
LogP1.63
Rot. Bonds6

About (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide

(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 92721994) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID92721994
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
SMILESC[C@@H](C(=O)NCCCN1CCCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H25N3O2/c1-14(17(22)19-9-6-12-20-10-4-5-11-20)21-13-15-7-2-3-8-16(15)18(21)23/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22)/t14-/m0/s1
InChIKeyFPZMIZCGNDCAHL-AWEZNQCLSA-N
XLogP1.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-(4-methylphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92723130
(2S)-N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 163086551
(3R)-3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92723024
(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 124864581
(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688940
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 71829789
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylpropanamide
CID 92886577
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
(2R)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 171157887
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 86207616
(3S)-3-(4-fluorophenyl)-3-(3-oxo-1H-isoindol-2-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92722931
(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688907

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide (CID 92721994) is (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide is C[C@@H](C(=O)NCCCN1CCCC1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is FPZMIZCGNDCAHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-14(17(22)19-9-6-12-20-10-4-5-11-20)21-13-15-7-2-3-8-16(15)18(21)23/h2-3,7-8,14H,4-6,9-13H2,1H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide?
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 315.42 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 92721994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).