2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one

C18H24N2O3 — CID 40542427

IUPAC2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one
SMILESCC(C)C[C@H](C(=O)N1CCOCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H24N2O3/c1-13(2)11-16(18(22)19-7-9-23-10-8-19)20-12-14-5-3-4-6-15(14)17(20)21/h3-6,13,16H,7-12H2,1-2H3/t16-/m1/s1
InChIKeyWUWIADLZQWFISA-MRXNPFEDSA-N
MW316.40 g/mol
LogP1.92
Rot. Bonds4

About 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one

2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one (PubChem CID 40542427) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one
PubChem CID40542427
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one
SMILESCC(C)C[C@H](C(=O)N1CCOCC1)N1Cc2ccccc2C1=O
InChIInChI=1S/C18H24N2O3/c1-13(2)11-16(18(22)19-7-9-23-10-8-19)20-12-14-5-3-4-6-15(14)17(20)21/h3-6,13,16H,7-12H2,1-2H3/t16-/m1/s1
InChIKeyWUWIADLZQWFISA-MRXNPFEDSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one with MolForge

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Related Compounds

2-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 3711420
2-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methyl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 20905762
2-[1-(4-benzylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-3H-isoindol-1-one
CID 20905753
2-(4-methylsulfonyl-1-morpholin-4-yl-1-oxobutan-2-yl)-3H-isoindol-1-one
CID 20905838
(2R)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 7062090
ethane;ethyl 4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanoate
CID 153352723
(2S)-N-(2,3-dihydro-1H-inden-2-yl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 39348917
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N,N-dipropylpentanamide
CID 20905724
2-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3H-isoindol-1-one
CID 92688588
2-[(2R)-1-[13-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoyl]-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 99655465
N-(2-methylpropyl)-2-(3-oxo-1H-isoindol-2-yl)-3-phenylpropanamide
CID 71947985
N-(3,5-dimethylphenyl)-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905754

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one?
The IUPAC name of 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one (CID 40542427) is 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one is CC(C)C[C@H](C(=O)N1CCOCC1)N1Cc2ccccc2C1=O.
What is the InChIKey of 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one?
The InChIKey is WUWIADLZQWFISA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)11-16(18(22)19-7-9-23-10-8-19)20-12-14-5-3-4-6-15(14)17(20)21/h3-6,13,16H,7-12H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one?
2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one has a molecular weight of 316.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-3H-isoindol-1-one is sourced from PubChem (CID 40542427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).