2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one

C15H22N2O3 — CID 174869251

IUPAC2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
SMILESCCC(NOC)C(=O)c1ccc(C2CNCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-13(17-19-2)15(18)12-6-4-11(5-7-12)14-10-16-8-9-20-14/h4-7,13-14,16-17H,3,8-10H2,1-2H3
InChIKeyHYQYETDZKAYQGO-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.46
Rot. Bonds6

About 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one

2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one (PubChem CID 174869251) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
PubChem CID174869251
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
SMILESCCC(NOC)C(=O)c1ccc(C2CNCCO2)cc1
InChIInChI=1S/C15H22N2O3/c1-3-13(17-19-2)15(18)12-6-4-11(5-7-12)14-10-16-8-9-20-14/h4-7,13-14,16-17H,3,8-10H2,1-2H3
InChIKeyHYQYETDZKAYQGO-UHFFFAOYSA-N
XLogP1.46
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
4-methoxy-N-(4-morpholin-2-ylphenyl)benzamide;hydrochloride
CID 67239468
4-ethoxy-N-[4-[(2S)-morpholin-2-yl]phenyl]benzamide
CID 67239889
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174772585
tert-butyl N-(4-morpholin-2-ylphenyl)carbamate
CID 117446363
2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
CID 174401139
2-benzyl-2-(dimethylamino)-1-(4-morpholin-2-ylphenyl)pentan-1-one
CID 174628580
2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 175078141
N-(2,6-dichlorophenyl)-4-[(2S)-morpholin-2-yl]benzamide
CID 129387149
4-methoxy-N-(4-morpholin-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 67238948

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
The IUPAC name of 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one (CID 174869251) is 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one.
What is the SMILES notation for 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
The canonical SMILES for 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one is CCC(NOC)C(=O)c1ccc(C2CNCCO2)cc1.
What is the InChIKey of 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
The InChIKey is HYQYETDZKAYQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-13(17-19-2)15(18)12-6-4-11(5-7-12)14-10-16-8-9-20-14/h4-7,13-14,16-17H,3,8-10H2,1-2H3.
What are the key properties of 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one is sourced from PubChem (CID 174869251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).