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

C18H19NO3 — CID 97286229

IUPAC2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
SMILESCOc1cccc2c1OC[C@@H](Cc1ccccc1C(N)=O)C2
InChIInChI=1S/C18H19NO3/c1-21-16-8-4-6-14-10-12(11-22-17(14)16)9-13-5-2-3-7-15(13)18(19)20/h2-8,12H,9-11H2,1H3,(H2,19,20)/t12-/m0/s1
InChIKeyRYCJADKEDPRPHW-LBPRGKRZSA-N
MW297.35 g/mol
LogP2.59
Rot. Bonds4

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

2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide (PubChem CID 97286229) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
PubChem CID97286229
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
SMILESCOc1cccc2c1OC[C@@H](Cc1ccccc1C(N)=O)C2
InChIInChI=1S/C18H19NO3/c1-21-16-8-4-6-14-10-12(11-22-17(14)16)9-13-5-2-3-7-15(13)18(19)20/h2-8,12H,9-11H2,1H3,(H2,19,20)/t12-/m0/s1
InChIKeyRYCJADKEDPRPHW-LBPRGKRZSA-N
XLogP2.59
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
CID 72917856
2-[2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-methylphenoxy]acetamide
CID 97269076
2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
CID 97272947
2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 97202786
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
3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
CID 97269613
1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
CID 97186886
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72890511
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

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?
The IUPAC name of 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide (CID 97286229) is 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide.
What is the SMILES notation for 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?
The canonical SMILES for 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide is COc1cccc2c1OC[C@@H](Cc1ccccc1C(N)=O)C2.
What is the InChIKey of 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?
The InChIKey is RYCJADKEDPRPHW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-16-8-4-6-14-10-12(11-22-17(14)16)9-13-5-2-3-7-15(13)18(19)20/h2-8,12H,9-11H2,1H3,(H2,19,20)/t12-/m0/s1.
What are the key properties of 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide?
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide has a molecular weight of 297.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide is sourced from PubChem (CID 97286229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).