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

C19H21NO4 — CID 97272947

IUPAC2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
SMILESCOc1cccc2c1OC[C@@H](Cc1cccc(OCC(N)=O)c1)C2
InChIInChI=1S/C19H21NO4/c1-22-17-7-3-5-15-9-14(11-24-19(15)17)8-13-4-2-6-16(10-13)23-12-18(20)21/h2-7,10,14H,8-9,11-12H2,1H3,(H2,20,21)/t14-/m0/s1
InChIKeyJYIYGHLAZJUTGA-AWEZNQCLSA-N
MW327.38 g/mol
LogP2.35
Rot. Bonds6

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

2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide (PubChem CID 97272947) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
PubChem CID97272947
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide
SMILESCOc1cccc2c1OC[C@@H](Cc1cccc(OCC(N)=O)c1)C2
InChIInChI=1S/C19H21NO4/c1-22-17-7-3-5-15-9-14(11-24-19(15)17)8-13-4-2-6-16(10-13)23-12-18(20)21/h2-7,10,14H,8-9,11-12H2,1H3,(H2,20,21)/t14-/m0/s1
InChIKeyJYIYGHLAZJUTGA-AWEZNQCLSA-N
XLogP2.35
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzamide
CID 97286229
3-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methylbenzamide
CID 72917856
6-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72847083
4,6-dimethoxy-2-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyrimidine
CID 97198058
2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyrimidin-4-amine
CID 72901870
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
3-(3,4-dimethoxyphenyl)-N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]propanamide
CID 72881967
2-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 97202786

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide (CID 97272947) is 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide is COc1cccc2c1OC[C@@H](Cc1cccc(OCC(N)=O)c1)C2.
What is the InChIKey of 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide?
The InChIKey is JYIYGHLAZJUTGA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21NO4/c1-22-17-7-3-5-15-9-14(11-24-19(15)17)8-13-4-2-6-16(10-13)23-12-18(20)21/h2-7,10,14H,8-9,11-12H2,1H3,(H2,20,21)/t14-/m0/s1.
What are the key properties of 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide?
2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide has a molecular weight of 327.38 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenoxy]acetamide is sourced from PubChem (CID 97272947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).