2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone

C23H29N3O4 — CID 131923008

IUPAC2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CN2CCCC2c2ccccn2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O4/c1-28-22-15-18(16-26-10-4-6-20(26)19-5-2-3-9-24-19)7-8-21(22)30-17-23(27)25-11-13-29-14-12-25/h2-3,5,7-9,15,20H,4,6,10-14,16-17H2,1H3
InChIKeyWEWDZTVUAPMNHU-UHFFFAOYSA-N
MW411.50 g/mol
LogP2.66
Rot. Bonds7

About 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone

2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 131923008) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID131923008
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CN2CCCC2c2ccccn2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C23H29N3O4/c1-28-22-15-18(16-26-10-4-6-20(26)19-5-2-3-9-24-19)7-8-21(22)30-17-23(27)25-11-13-29-14-12-25/h2-3,5,7-9,15,20H,4,6,10-14,16-17H2,1H3
InChIKeyWEWDZTVUAPMNHU-UHFFFAOYSA-N
XLogP2.66
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[2-methoxy-4-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131905909
2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131938428
2-[2-methoxy-4-[[(2R)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813466
2-[2-methoxy-4-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131943183
2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 119123900
2-[2-methoxy-4-[[(2R)-2-[5-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]methyl]phenoxy]acetamide
CID 95813471
2-[4-[[(2R)-2-(2-chlorophenyl)azepan-1-yl]methyl]-2-methoxyphenoxy]acetamide
CID 92878144
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
2-[2-methoxy-4-[(pyridazin-3-ylamino)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 86806885
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone (CID 131923008) is 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone is COc1cc(CN2CCCC2c2ccccn2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is WEWDZTVUAPMNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-28-22-15-18(16-26-10-4-6-20(26)19-5-2-3-9-24-19)7-8-21(22)30-17-23(27)25-11-13-29-14-12-25/h2-3,5,7-9,15,20H,4,6,10-14,16-17H2,1H3.
What are the key properties of 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 411.50 g/mol, XLogP of 2.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[(2-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 131923008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).