4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one

C13H18N2O3 — CID 79469208

IUPAC4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
SMILESCCOc1ccc(N)cc1CN1CCOCC1=O
InChIInChI=1S/C13H18N2O3/c1-2-18-12-4-3-11(14)7-10(12)8-15-5-6-17-9-13(15)16/h3-4,7H,2,5-6,8-9,14H2,1H3
InChIKeyFAVULYVIPMHVJO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.03
Rot. Bonds4

About 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one

4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one (PubChem CID 79469208) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
PubChem CID79469208
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one
SMILESCCOc1ccc(N)cc1CN1CCOCC1=O
InChIInChI=1S/C13H18N2O3/c1-2-18-12-4-3-11(14)7-10(12)8-15-5-6-17-9-13(15)16/h3-4,7H,2,5-6,8-9,14H2,1H3
InChIKeyFAVULYVIPMHVJO-UHFFFAOYSA-N
XLogP1.03
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one?
The IUPAC name of 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one (CID 79469208) is 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one is CCOc1ccc(N)cc1CN1CCOCC1=O.
What is the InChIKey of 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one?
The InChIKey is FAVULYVIPMHVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-18-12-4-3-11(14)7-10(12)8-15-5-6-17-9-13(15)16/h3-4,7H,2,5-6,8-9,14H2,1H3.
What are the key properties of 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one?
4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one has a molecular weight of 250.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-ethoxyphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 79469208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).