2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone

C20H30N2O4 — CID 119123900

IUPAC2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CNC2CCCC2C)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O4/c1-15-4-3-5-17(15)21-13-16-6-7-18(19(12-16)24-2)26-14-20(23)22-8-10-25-11-9-22/h6-7,12,15,17,21H,3-5,8-11,13-14H2,1-2H3
InChIKeyOMBBYPQHSMIVSB-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.21
Rot. Bonds7

About 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone

2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 119123900) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID119123900
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCOc1cc(CNC2CCCC2C)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C20H30N2O4/c1-15-4-3-5-17(15)21-13-16-6-7-18(19(12-16)24-2)26-14-20(23)22-8-10-25-11-9-22/h6-7,12,15,17,21H,3-5,8-11,13-14H2,1-2H3
InChIKeyOMBBYPQHSMIVSB-UHFFFAOYSA-N
XLogP2.21
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[4-[[[(1S,2S,3S)-2,3-dimethylcyclohexyl]amino]methyl]-2-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 98785521
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
2-[4-[(Z)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 9012679
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-[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-pyridin-2-ylpyrrolidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131923008
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
2-[2-methoxy-4-[(3-pyridin-2-ylazetidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131905909
N-[(4-methoxy-3-methylphenyl)methyl]-2-methylcyclopentan-1-amine
CID 55171660
2-[2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 131938428

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 119123900) is 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone is COc1cc(CNC2CCCC2C)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is OMBBYPQHSMIVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-15-4-3-5-17(15)21-13-16-6-7-18(19(12-16)24-2)26-14-20(23)22-8-10-25-11-9-22/h6-7,12,15,17,21H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 362.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[[(2-methylcyclopentyl)amino]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 119123900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).