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

C19H21NO3 — CID 97269613

IUPAC3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C[C@H]2COc3c(cccc3OC)C2)c1
InChIInChI=1S/C19H21NO3/c1-20-19(21)16-7-3-5-13(10-16)9-14-11-15-6-4-8-17(22-2)18(15)23-12-14/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyCERQATRCUMEPCE-CQSZACIVSA-N
MW311.38 g/mol
LogP2.85
Rot. Bonds4

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

3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide (PubChem CID 97269613) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
PubChem CID97269613
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(C[C@H]2COc3c(cccc3OC)C2)c1
InChIInChI=1S/C19H21NO3/c1-20-19(21)16-7-3-5-13(10-16)9-14-11-15-6-4-8-17(22-2)18(15)23-12-14/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1
InChIKeyCERQATRCUMEPCE-CQSZACIVSA-N
XLogP2.85
TPSA47.56 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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenyl]methyl]propanamide
CID 97209832
2-methoxy-5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]benzamide
CID 72885583
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
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
CID 72917856
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
CID 97208878
1-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-morpholin-4-ylphenyl]ethanone
CID 97186886
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 97275063

Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide (CID 97269613) is 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide is CNC(=O)c1cccc(C[C@H]2COc3c(cccc3OC)C2)c1.
What is the InChIKey of 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide?
The InChIKey is CERQATRCUMEPCE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO3/c1-20-19(21)16-7-3-5-13(10-16)9-14-11-15-6-4-8-17(22-2)18(15)23-12-14/h3-8,10,14H,9,11-12H2,1-2H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide?
3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide has a molecular weight of 311.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 97269613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).