2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

C20H24N2O3 — CID 96551195

IUPAC2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)C[C@@H]1OCCc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-24-13-11-22(15-17-7-4-5-10-21-17)20(23)14-19-18-8-3-2-6-16(18)9-12-25-19/h2-8,10,19H,9,11-15H2,1H3/t19-/m0/s1
InChIKeyIFICXHLNDHEYBH-IBGZPJMESA-N
MW340.42 g/mol
LogP2.76
Rot. Bonds7

About 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 96551195) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID96551195
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOCCN(Cc1ccccn1)C(=O)C[C@@H]1OCCc2ccccc21
InChIInChI=1S/C20H24N2O3/c1-24-13-11-22(15-17-7-4-5-10-21-17)20(23)14-19-18-8-3-2-6-16(18)9-12-25-19/h2-8,10,19H,9,11-15H2,1H3/t19-/m0/s1
InChIKeyIFICXHLNDHEYBH-IBGZPJMESA-N
XLogP2.76
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
N-cyclopentyl-2-(3,4-dihydro-1H-isochromen-1-yl)-N-pyridin-2-ylacetamide
CID 122138030
2-[1-(aminomethyl)cyclobutyl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 81172532
3-(tert-butylamino)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 60953797
2,2-difluoro-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 103515208
N-[3-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 55981551
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 99959246
N-(2-methoxyethyl)-2-methyl-N-(pyridin-2-ylmethyl)propanamide
CID 61242497
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 61242674
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55981041
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
2-amino-N-[2-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-2-oxoethyl]acetamide
CID 60954047

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 96551195) is 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is COCCN(Cc1ccccn1)C(=O)C[C@@H]1OCCc2ccccc21.
What is the InChIKey of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is IFICXHLNDHEYBH-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-13-11-22(15-17-7-4-5-10-21-17)20(23)14-19-18-8-3-2-6-16(18)9-12-25-19/h2-8,10,19H,9,11-15H2,1H3/t19-/m0/s1.
What are the key properties of 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 96551195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).