(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide

C24H25N3O5 — CID 30854989

IUPAC(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)cc2C1=O
InChIInChI=1S/C24H25N3O5/c1-32-14-6-13-27-23(30)18-11-10-16(15-19(18)24(27)31)22(29)26-12-5-9-20(26)21(28)25-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,20H,5-6,9,12-14H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyXZZHXTIVFCHMRT-HXUWFJFHSA-N
MW435.48 g/mol
LogP2.56
Rot. Bonds7

About (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide

(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide (PubChem CID 30854989) has the molecular formula C24H25N3O5 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide
PubChem CID30854989
Molecular FormulaC24H25N3O5
Molecular Weight435.48 g/mol
Exact Mass435.18
IUPAC Name(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide
SMILESCOCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)cc2C1=O
InChIInChI=1S/C24H25N3O5/c1-32-14-6-13-27-23(30)18-11-10-16(15-19(18)24(27)31)22(29)26-12-5-9-20(26)21(28)25-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,20H,5-6,9,12-14H2,1H3,(H,25,28)/t20-/m1/s1
InChIKeyXZZHXTIVFCHMRT-HXUWFJFHSA-N
XLogP2.56
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2S)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828175
(2R)-1-(3-methoxybenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 28828173
(2S)-1-(4-benzamidobenzoyl)-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 92729848
2-butyl-1,3-dioxo-N-phenylisoindole-5-carboxamide
CID 2598570
5-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 108535080
2-(3-methoxypropyl)-5-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108535074
2-(3-methoxypropyl)-5-[4-(pyridine-4-carbonyl)-1,4-diazepane-1-carbonyl]isoindole-1,3-dione
CID 108545927
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 55674176
2-(3-methoxypropyl)-N-[3-[(2-methylphenyl)carbamoyl]phenyl]-1,3-dioxoisoindole-5-carboxamide
CID 4594385
N-[2-(3-methoxypropyl)-1,3-dioxoisoindol-5-yl]pyrrolidine-1-carboxamide
CID 108873670
N-(2,6-dimethylphenyl)-2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 3744208

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide (CID 30854989) is (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide is COCCCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)Nc3ccccc3)cc2C1=O.
What is the InChIKey of (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is XZZHXTIVFCHMRT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O5/c1-32-14-6-13-27-23(30)18-11-10-16(15-19(18)24(27)31)22(29)26-12-5-9-20(26)21(28)25-17-7-3-2-4-8-17/h2-4,7-8,10-11,15,20H,5-6,9,12-14H2,1H3,(H,25,28)/t20-/m1/s1.
What are the key properties of (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide?
(2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 30854989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).