(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

C14H20N2O4 — CID 81206339

IUPAC(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCOc1cc(N)cc(C(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C14H20N2O4/c1-2-19-12-6-10(5-11(15)7-12)14(18)16-3-4-20-13(8-16)9-17/h5-7,13,17H,2-4,8-9,15H2,1H3
InChIKeyCAWUWLILBKINOB-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.50
Rot. Bonds4

About (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone

(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 81206339) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID81206339
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
SMILESCCOc1cc(N)cc(C(=O)N2CCOC(CO)C2)c1
InChIInChI=1S/C14H20N2O4/c1-2-19-12-6-10(5-11(15)7-12)14(18)16-3-4-20-13(8-16)9-17/h5-7,13,17H,2-4,8-9,15H2,1H3
InChIKeyCAWUWLILBKINOB-UHFFFAOYSA-N
XLogP0.50
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208576
(3-amino-5-ethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 81089765
(3-amino-5-ethoxyphenyl)-(3,4-dimethoxypyrrolidin-1-yl)methanone
CID 103530161
(3-amino-5-ethoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955074
2-[4-(3-ethoxybenzoyl)morpholin-2-yl]acetic acid
CID 119248791
(3-amino-5-ethoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 81092691
(3-amino-5-ethoxyphenyl)-(4,4-dimethylazepan-1-yl)methanone
CID 81094273
2-[4-[2-(hydroxymethyl)morpholine-4-carbonyl]phenoxy]acetamide
CID 81197417
[2-(aminomethyl)-4-pyridinyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 113277915
(2-amino-4-methoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 115413615
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
furan-3-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81207986

Frequently Asked Questions

What is the IUPAC name of (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone (CID 81206339) is (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is CCOc1cc(N)cc(C(=O)N2CCOC(CO)C2)c1.
What is the InChIKey of (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is CAWUWLILBKINOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-19-12-6-10(5-11(15)7-12)14(18)16-3-4-20-13(8-16)9-17/h5-7,13,17H,2-4,8-9,15H2,1H3.
What are the key properties of (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone?
(3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 280.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5-ethoxyphenyl)-[2-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 81206339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).