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

C19H21NO3 — CID 72917856

IUPAC3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
SMILESCOc1cccc2c1OCC(Cc1cc(C(N)=O)ccc1C)C2
InChIInChI=1S/C19H21NO3/c1-12-6-7-15(19(20)21)10-16(12)9-13-8-14-4-3-5-17(22-2)18(14)23-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H2,20,21)
InChIKeyZUJZKBHLECBXBO-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.90
Rot. Bonds4

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

3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide (PubChem CID 72917856) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
PubChem CID72917856
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
SMILESCOc1cccc2c1OCC(Cc1cc(C(N)=O)ccc1C)C2
InChIInChI=1S/C19H21NO3/c1-12-6-7-15(19(20)21)10-16(12)9-13-8-14-4-3-5-17(22-2)18(14)23-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H2,20,21)
InChIKeyZUJZKBHLECBXBO-UHFFFAOYSA-N
XLogP2.90
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
2-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methylphenoxy]acetamide
CID 97269076
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
CID 97186886
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
N-[[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methyl]propanamide
CID 97209832
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-6-methylpyridine
CID 72901612
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015

Frequently Asked Questions

What is the IUPAC name of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide (CID 72917856) is 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide is COc1cccc2c1OCC(Cc1cc(C(N)=O)ccc1C)C2.
What is the InChIKey of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide?
The InChIKey is ZUJZKBHLECBXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-6-7-15(19(20)21)10-16(12)9-13-8-14-4-3-5-17(22-2)18(14)23-11-13/h3-7,10,13H,8-9,11H2,1-2H3,(H2,20,21).
What are the key properties of 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide?
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 72917856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).