(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide

C22H24N2O3 — CID 56728960

IUPAC(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCC1CCCO1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c25-21(23-14-18-10-6-12-27-18)20(13-16-7-2-1-3-8-16)24-15-17-9-4-5-11-19(17)22(24)26/h1-5,7-9,11,18,20H,6,10,12-15H2,(H,23,25)/t18?,20-/m0/s1
InChIKeyKQKYGRDZQXVQHU-IJHRGXPZSA-N
MW364.44 g/mol
LogP2.55
Rot. Bonds6

About (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide

(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (PubChem CID 56728960) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
PubChem CID56728960
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC Name(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
SMILESO=C(NCC1CCCO1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c25-21(23-14-18-10-6-12-27-18)20(13-16-7-2-1-3-8-16)24-15-17-9-4-5-11-19(17)22(24)26/h1-5,7-9,11,18,20H,6,10,12-15H2,(H,23,25)/t18?,20-/m0/s1
InChIKeyKQKYGRDZQXVQHU-IJHRGXPZSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
(2R)-2-[(4R)-4-(4-fluorophenyl)-2,5-dioxo-1-prop-2-enyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 99768252
(2S)-2-[(4R)-1-ethyl-4-(3-methylphenyl)-2,5-dioxo-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 93134605
N-[2-(diethylamino)ethyl]-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 20905607
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
(2R)-N-(2,4-dimethylphenyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 92688551
2-benzylsulfanyl-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 134040205
N'-benzyl-N-(oxolan-2-ylmethyl)oxamide
CID 21211581
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
2-[benzyl-(2-phenoxyacetyl)amino]-N-(oxolan-2-ylmethyl)-3-phenylpropanamide
CID 133214204

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide (CID 56728960) is (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide is O=C(NCC1CCCO1)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
The InChIKey is KQKYGRDZQXVQHU-IJHRGXPZSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-21(23-14-18-10-6-12-27-18)20(13-16-7-2-1-3-8-16)24-15-17-9-4-5-11-19(17)22(24)26/h1-5,7-9,11,18,20H,6,10,12-15H2,(H,23,25)/t18?,20-/m0/s1.
What are the key properties of (2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide?
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(oxolan-2-ylmethyl)-3-phenylpropanamide has a molecular weight of 364.44 g/mol, XLogP of 2.55, 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-(oxolan-2-ylmethyl)-3-phenylpropanamide is sourced from PubChem (CID 56728960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).