(2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

C22H24N2O4 — CID 128963107

IUPAC(2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)[C@H](C)N1Cc3ccccc3C1=O)CC2
InChIInChI=1S/C22H24N2O4/c1-13(24-12-15-6-4-5-7-16(15)22(24)26)21(25)23-18-9-8-14-10-19(27-2)20(28-3)11-17(14)18/h4-7,10-11,13,18H,8-9,12H2,1-3H3,(H,23,25)/t13-,18?/m0/s1
InChIKeyBMXMCXHNAOLJFY-FVRDMJKUSA-N
MW380.44 g/mol
LogP2.85
Rot. Bonds5

About (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 128963107) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID128963107
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cc2c(cc1OC)C(NC(=O)[C@H](C)N1Cc3ccccc3C1=O)CC2
InChIInChI=1S/C22H24N2O4/c1-13(24-12-15-6-4-5-7-16(15)22(24)26)21(25)23-18-9-8-14-10-19(27-2)20(28-3)11-17(14)18/h4-7,10-11,13,18H,8-9,12H2,1-3H3,(H,23,25)/t13-,18?/m0/s1
InChIKeyBMXMCXHNAOLJFY-FVRDMJKUSA-N
XLogP2.85
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 128963107) is (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is COc1cc2c(cc1OC)C(NC(=O)[C@H](C)N1Cc3ccccc3C1=O)CC2.
What is the InChIKey of (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is BMXMCXHNAOLJFY-FVRDMJKUSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13(24-12-15-6-4-5-7-16(15)22(24)26)21(25)23-18-9-8-14-10-19(27-2)20(28-3)11-17(14)18/h4-7,10-11,13,18H,8-9,12H2,1-3H3,(H,23,25)/t13-,18?/m0/s1.
What are the key properties of (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 128963107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).