[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone

C20H23FN2O4 — CID 60600662

IUPAC[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NCCOc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4/c1-25-19-7-2-15(20(24)23-9-12-26-13-10-23)14-18(19)22-8-11-27-17-5-3-16(21)4-6-17/h2-7,14,22H,8-13H2,1H3
InChIKeyZXRZOXQCYZHRMM-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.80
Rot. Bonds7

About [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone

[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone (PubChem CID 60600662) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
PubChem CID60600662
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone
SMILESCOc1ccc(C(=O)N2CCOCC2)cc1NCCOc1ccc(F)cc1
InChIInChI=1S/C20H23FN2O4/c1-25-19-7-2-15(20(24)23-9-12-26-13-10-23)14-18(19)22-8-11-27-17-5-3-16(21)4-6-17/h2-7,14,22H,8-13H2,1H3
InChIKeyZXRZOXQCYZHRMM-UHFFFAOYSA-N
XLogP2.80
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-methoxy-3-[2-[4-(trifluoromethoxy)phenyl]ethylamino]phenyl]-morpholin-4-ylmethanone
CID 75447304
[4-methoxy-3-(2-thiophen-2-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 75448638
[4-methoxy-3-(2-pyrazol-1-ylethylamino)phenyl]-morpholin-4-ylmethanone
CID 122135369
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
N-[2-(4-fluorophenyl)ethyl]-2-[2-methoxy-5-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 86864013
2-(4-aminophenyl)-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]acetamide
CID 119755689
(4-butoxy-3-methoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 78781387
3-(4-fluorophenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)propanamide
CID 30841810
2,2-dichloro-N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 91641888
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]-2-methylbenzamide
CID 50875897
[4-[[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 53150447

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone (CID 60600662) is [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone is COc1ccc(C(=O)N2CCOCC2)cc1NCCOc1ccc(F)cc1.
What is the InChIKey of [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone?
The InChIKey is ZXRZOXQCYZHRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4/c1-25-19-7-2-15(20(24)23-9-12-26-13-10-23)14-18(19)22-8-11-27-17-5-3-16(21)4-6-17/h2-7,14,22H,8-13H2,1H3.
What are the key properties of [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone?
[3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone has a molecular weight of 374.41 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenoxy)ethylamino]-4-methoxyphenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 60600662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).