N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

C22H24N2O4 — CID 72838629

IUPACN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cccc2c1OCC(CNC(=O)CCN1Cc3ccccc3C1=O)C2
InChIInChI=1S/C22H24N2O4/c1-27-19-8-4-6-16-11-15(14-28-21(16)19)12-23-20(25)9-10-24-13-17-5-2-3-7-18(17)22(24)26/h2-8,15H,9-14H2,1H3,(H,23,25)
InChIKeyBCZRKAHZAWLWFE-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.41
Rot. Bonds6

About N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 72838629) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID72838629
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCOc1cccc2c1OCC(CNC(=O)CCN1Cc3ccccc3C1=O)C2
InChIInChI=1S/C22H24N2O4/c1-27-19-8-4-6-16-11-15(14-28-21(16)19)12-23-20(25)9-10-24-13-17-5-2-3-7-18(17)22(24)26/h2-8,15H,9-14H2,1H3,(H,23,25)
InChIKeyBCZRKAHZAWLWFE-UHFFFAOYSA-N
XLogP2.41
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 72838629) is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is COc1cccc2c1OCC(CNC(=O)CCN1Cc3ccccc3C1=O)C2.
What is the InChIKey of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is BCZRKAHZAWLWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-19-8-4-6-16-11-15(14-28-21(16)19)12-23-20(25)9-10-24-13-17-5-2-3-7-18(17)22(24)26/h2-8,15H,9-14H2,1H3,(H,23,25).
What are the key properties of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide?
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 380.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 72838629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).