2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile

C19H24N2O4 — CID 128987997

IUPAC2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
SMILESCOC1CCCC1C1COCCN1C(=O)COc1ccccc1C#N
InChIInChI=1S/C19H24N2O4/c1-23-18-8-4-6-15(18)16-12-24-10-9-21(16)19(22)13-25-17-7-3-2-5-14(17)11-20/h2-3,5,7,15-16,18H,4,6,8-10,12-13H2,1H3
InChIKeyTZSRMKRPPLWBRU-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.98
Rot. Bonds5

About 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile

2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile (PubChem CID 128987997) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
PubChem CID128987997
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
SMILESCOC1CCCC1C1COCCN1C(=O)COc1ccccc1C#N
InChIInChI=1S/C19H24N2O4/c1-23-18-8-4-6-15(18)16-12-24-10-9-21(16)19(22)13-25-17-7-3-2-5-14(17)11-20/h2-3,5,7,15-16,18H,4,6,8-10,12-13H2,1H3
InChIKeyTZSRMKRPPLWBRU-UHFFFAOYSA-N
XLogP1.98
TPSA71.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[3-(2-hydroxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 128987967
2-[2-[(3S)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]ethoxy]benzonitrile
CID 129483611
2-[2-[(3S)-3-methylmorpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 93044931
2-(2,4-dimethylphenoxy)-1-[3-(2-methoxycyclopentyl)morpholin-4-yl]ethanone
CID 167905349
2-[[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]methyl]benzonitrile
CID 129483436
3-hydroxy-1-[(3R)-3-[(1S,2R)-2-methoxycyclopentyl]morpholin-4-yl]-3-methylbutan-1-one
CID 129351728
1-[(3S)-3-[(1R,2R)-2-methoxycyclopentyl]morpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
CID 129487190
2-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethoxy]benzonitrile
CID 102738509
2-[2-[(4aR,7aS)-6-methyl-5-oxo-2,3,4,4a,7,7a-hexahydropyrrolo[3,4-b]pyridin-1-yl]-2-oxoethoxy]benzonitrile
CID 120954900
1-[2-(2-cyanophenoxy)acetyl]pyrrolidine-2-carboxamide
CID 43183682
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethoxy]benzonitrile
CID 103533289
2-[2-[(2S,3S)-2-methyl-3-(trifluoromethyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 167863445

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
The IUPAC name of 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile (CID 128987997) is 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile.
What is the SMILES notation for 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
The canonical SMILES for 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile is COC1CCCC1C1COCCN1C(=O)COc1ccccc1C#N.
What is the InChIKey of 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
The InChIKey is TZSRMKRPPLWBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-23-18-8-4-6-15(18)16-12-24-10-9-21(16)19(22)13-25-17-7-3-2-5-14(17)11-20/h2-3,5,7,15-16,18H,4,6,8-10,12-13H2,1H3.
What are the key properties of 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile?
2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile has a molecular weight of 344.41 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2-methoxycyclopentyl)morpholin-4-yl]-2-oxoethoxy]benzonitrile is sourced from PubChem (CID 128987997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).