2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide

C19H21NO4 — CID 72885583

IUPAC2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
SMILESCOc1ccc(CC2COc3c(cccc3OC)C2)cc1C(N)=O
InChIInChI=1S/C19H21NO4/c1-22-16-7-6-12(10-15(16)19(20)21)8-13-9-14-4-3-5-17(23-2)18(14)24-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H2,20,21)
InChIKeyQZPSHDSWZZYXPU-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.60
Rot. Bonds5

About 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide

2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide (PubChem CID 72885583) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
PubChem CID72885583
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
SMILESCOc1ccc(CC2COc3c(cccc3OC)C2)cc1C(N)=O
InChIInChI=1S/C19H21NO4/c1-22-16-7-6-12(10-15(16)19(20)21)8-13-9-14-4-3-5-17(23-2)18(14)24-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H2,20,21)
InChIKeyQZPSHDSWZZYXPU-UHFFFAOYSA-N
XLogP2.60
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
CID 97272947
3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
CID 97269613
2-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methylphenoxy]acetamide
CID 97269076
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
CID 72917856
N-[[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methyl]propanamide
CID 97209832
3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72881967
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 97202786
1-[[4-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenyl]methyl]imidazole
CID 72861996

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The IUPAC name of 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide (CID 72885583) is 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide.
What is the SMILES notation for 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The canonical SMILES for 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide is COc1ccc(CC2COc3c(cccc3OC)C2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
The InChIKey is QZPSHDSWZZYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-16-7-6-12(10-15(16)19(20)21)8-13-9-14-4-3-5-17(23-2)18(14)24-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H2,20,21).
What are the key properties of 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide?
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide has a molecular weight of 327.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide is sourced from PubChem (CID 72885583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).