(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide

C21H21N3O3 — CID 39911850

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1N1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O3/c1-14(24-20(26)15-8-2-3-9-16(15)21(24)27)19(25)22-17-10-4-5-11-18(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyGWBXNZDEHFSKGD-AWEZNQCLSA-N
MW363.42 g/mol
LogP2.91
Rot. Bonds4

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 39911850) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
PubChem CID39911850
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1N1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H21N3O3/c1-14(24-20(26)15-8-2-3-9-16(15)21(24)27)19(25)22-17-10-4-5-11-18(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,25)/t14-/m0/s1
InChIKeyGWBXNZDEHFSKGD-AWEZNQCLSA-N
XLogP2.91
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylphenyl)propanamide
CID 7940676
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanyl-N-(2-piperidin-1-ylphenyl)butanamide
CID 2397067
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
CID 119164504
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
N-(5-bromo-2-morpholin-4-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 55363833
2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 1112277
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide (CID 39911850) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide is C[C@@H](C(=O)Nc1ccccc1N1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is GWBXNZDEHFSKGD-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14(24-20(26)15-8-2-3-9-16(15)21(24)27)19(25)22-17-10-4-5-11-18(17)23-12-6-7-13-23/h2-5,8-11,14H,6-7,12-13H2,1H3,(H,22,25)/t14-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 363.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 39911850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).