2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one

C23H30N2O4 — CID 174772585

IUPAC2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(OC)OC
InChIInChI=1S/C23H30N2O4/c1-4-23(25(27-2)28-3,16-18-8-6-5-7-9-18)22(26)20-12-10-19(11-13-20)21-17-24-14-15-29-21/h5-13,21,24H,4,14-17H2,1-3H3
InChIKeyAIMXYMSHQOVMKP-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.35
Rot. Bonds9

About 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one

2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one (PubChem CID 174772585) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
PubChem CID174772585
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC Name2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(OC)OC
InChIInChI=1S/C23H30N2O4/c1-4-23(25(27-2)28-3,16-18-8-6-5-7-9-18)22(26)20-12-10-19(11-13-20)21-17-24-14-15-29-21/h5-13,21,24H,4,14-17H2,1-3H3
InChIKeyAIMXYMSHQOVMKP-UHFFFAOYSA-N
XLogP3.35
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-benzyl-2-(dimethoxyamino)-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

2-benzyl-2-(dimethylamino)-1-(4-morpholin-2-ylphenyl)pentan-1-one
CID 174628580
2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
CID 174401139
2-(dimethylamino)-2-[[4-(2-methoxyethoxy)phenyl]methyl]-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 175078141
4-[(2R)-morpholin-2-yl]benzoic acid
CID 96582723
ethyl 4-[(2S)-morpholin-2-yl]benzoate
CID 167721608
2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174869251
N,N-dimethyl-2-(4-morpholin-2-ylphenyl)-1-phenylpentan-3-amine
CID 174876057
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
azane;2-phenylmorpholine
CID 174664757
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)propan-2-one
CID 58315659
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-[(3-benzoylphenyl)methyl]-2-morpholin-2-yl-1-phenylbutan-1-one
CID 174632668

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
The IUPAC name of 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one (CID 174772585) is 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one.
What is the SMILES notation for 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
The canonical SMILES for 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one is CCC(Cc1ccccc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(OC)OC.
What is the InChIKey of 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
The InChIKey is AIMXYMSHQOVMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-4-23(25(27-2)28-3,16-18-8-6-5-7-9-18)22(26)20-12-10-19(11-13-20)21-17-24-14-15-29-21/h5-13,21,24H,4,14-17H2,1-3H3.
What are the key properties of 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one?
2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one has a molecular weight of 398.50 g/mol, XLogP of 3.35, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one is sourced from PubChem (CID 174772585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).