2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide

C23H22N2O3 — CID 75371773

IUPAC2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide
SMILESO=C(CC1OCCc2ccccc21)NCc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C23H22N2O3/c26-22(14-21-20-9-5-4-6-18(20)12-13-27-21)24-15-17-10-11-23(25-16-17)28-19-7-2-1-3-8-19/h1-11,16,21H,12-15H2,(H,24,26)
InChIKeyLYMUSERATURYAW-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.19
Rot. Bonds6

About 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide

2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide (PubChem CID 75371773) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide
PubChem CID75371773
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide
SMILESO=C(CC1OCCc2ccccc21)NCc1ccc(Oc2ccccc2)nc1
InChIInChI=1S/C23H22N2O3/c26-22(14-21-20-9-5-4-6-18(20)12-13-27-21)24-15-17-10-11-23(25-16-17)28-19-7-2-1-3-8-19/h1-11,16,21H,12-15H2,(H,24,26)
InChIKeyLYMUSERATURYAW-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 97082428
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]acetamide
CID 102556346
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 111386279
(3S)-N-[(6-phenoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97082832
N-(3-aminopropyl)-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119408439
2-[3,4-dihydro-1H-isochromen-1-ylmethyl(methyl)amino]-N-(pyridin-3-ylmethyl)acetamide
CID 75370672
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-pyrrol-1-ylethyl)acetamide
CID 95784485
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 119621137
N-[2-(cycloheptylamino)ethyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide;hydrochloride
CID 119621136
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[2-(methylamino)propyl]acetamide;hydrochloride
CID 120826800
2-[(1R)-3,4-dihydro-1H-isochromen-1-yl]-N-[(4-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 99167409
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3,4-dihydro-1H-isochromen-1-yl)acetamide
CID 86957326

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide (CID 75371773) is 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide is O=C(CC1OCCc2ccccc21)NCc1ccc(Oc2ccccc2)nc1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide?
The InChIKey is LYMUSERATURYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-22(14-21-20-9-5-4-6-18(20)12-13-27-21)24-15-17-10-11-23(25-16-17)28-19-7-2-1-3-8-19/h1-11,16,21H,12-15H2,(H,24,26).
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide?
2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-yl)-N-[(6-phenoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 75371773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).