(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide

C19H26N2O3 — CID 7297635

IUPAC(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O3/c1-12(2)10-20(11-13(3)4)17(22)14(5)21-18(23)15-8-6-7-9-16(15)19(21)24/h6-9,12-14H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyQSQMVSUOICJQNR-CQSZACIVSA-N
MW330.43 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide

(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide (PubChem CID 7297635) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
PubChem CID7297635
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide
SMILESCC(C)CN(CC(C)C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H26N2O3/c1-12(2)10-20(11-13(3)4)17(22)14(5)21-18(23)15-8-6-7-9-16(15)19(21)24/h6-9,12-14H,10-11H2,1-5H3/t14-/m1/s1
InChIKeyQSQMVSUOICJQNR-CQSZACIVSA-N
XLogP2.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-ethyl-4-methyl-N-(2-methylpropyl)pentanamide
CID 112817708
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-methoxy-N-methylpropanamide
CID 15518686
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
2-(1,3-dioxoisoindol-2-yl)-N,N-diethyl-4-methylpentanamide
CID 112762971
potassium 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 19205374
tetrakis((2S)-2-(1,3-dioxoisoindol-2-yl)propanoate);bis(rhodium(2+))
CID 56647031
2-(4,4-dichloro-3-oxobutan-2-yl)isoindole-1,3-dione
CID 18704328
2-[(2R,4R)-4-(1,3-dioxoisoindol-2-yl)pentan-2-yl]isoindole-1,3-dione
CID 100990759
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
propan-2-yl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 75674147
2-oxopropyl 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 42970136
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-(1,3-dioxoisoindol-2-yl)propanoate
CID 8926563

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide (CID 7297635) is (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide is CC(C)CN(CC(C)C)C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide?
The InChIKey is QSQMVSUOICJQNR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-12(2)10-20(11-13(3)4)17(22)14(5)21-18(23)15-8-6-7-9-16(15)19(21)24/h6-9,12-14H,10-11H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide?
(2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide has a molecular weight of 330.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-dioxoisoindol-2-yl)-N,N-bis(2-methylpropyl)propanamide is sourced from PubChem (CID 7297635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).