2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone

C15H22N2O3 — CID 108994199

IUPAC2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
SMILESCOc1cccc(CCNCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-14-4-2-3-13(11-14)5-6-16-12-15(18)17-7-9-20-10-8-17/h2-4,11,16H,5-10,12H2,1H3
InChIKeyMEWIAGCKVULCBJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.69
Rot. Bonds6

About 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone

2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone (PubChem CID 108994199) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
PubChem CID108994199
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone
SMILESCOc1cccc(CCNCC(=O)N2CCOCC2)c1
InChIInChI=1S/C15H22N2O3/c1-19-14-4-2-3-13(11-14)5-6-16-12-15(18)17-7-9-20-10-8-17/h2-4,11,16H,5-10,12H2,1H3
InChIKeyMEWIAGCKVULCBJ-UHFFFAOYSA-N
XLogP0.69
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-2,2-dimethyl-3-morpholin-4-yl-3-oxopropanamide
CID 108959838
3-[2-(3-methoxyphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 109013797
N-[2,6-di(propan-2-yl)phenyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000966
N-(2,6-difluorophenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000990
N-(4-methoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000927
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
1-(6-hydroxy-1,4-oxazepan-4-yl)-3-(3-methoxyphenyl)propan-1-one
CID 70713084
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133842
3-(3-methoxyphenyl)-1-(1,3-oxazinan-3-yl)propan-1-one
CID 110739650
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 108997173
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone (CID 108994199) is 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone is COc1cccc(CCNCC(=O)N2CCOCC2)c1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone?
The InChIKey is MEWIAGCKVULCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-14-4-2-3-13(11-14)5-6-16-12-15(18)17-7-9-20-10-8-17/h2-4,11,16H,5-10,12H2,1H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone?
2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone has a molecular weight of 278.35 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethylamino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 108994199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).