2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one

C17H27N3O2 — CID 175147808

IUPAC2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one
SMILESCCC(NC)(C(=O)c1ccccc1N1CCOCC1)N(C)C
InChIInChI=1S/C17H27N3O2/c1-5-17(18-2,19(3)4)16(21)14-8-6-7-9-15(14)20-10-12-22-13-11-20/h6-9,18H,5,10-13H2,1-4H3
InChIKeyFXRVCSRKXSHKTC-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.59
Rot. Bonds6

About 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one

2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one (PubChem CID 175147808) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one
PubChem CID175147808
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one
SMILESCCC(NC)(C(=O)c1ccccc1N1CCOCC1)N(C)C
InChIInChI=1S/C17H27N3O2/c1-5-17(18-2,19(3)4)16(21)14-8-6-7-9-15(14)20-10-12-22-13-11-20/h6-9,18H,5,10-13H2,1-4H3
InChIKeyFXRVCSRKXSHKTC-UHFFFAOYSA-N
XLogP1.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-ylbenzohydrazide
CID 7148386
2-(dimethylamino)-1-(2-morpholin-4-ylphenyl)-2-[(4-propan-2-ylphenyl)methyl]pentan-1-one
CID 175082055
2-(dimethylamino)-2-[(2-morpholin-4-ylphenyl)methyl]-1-phenylbutan-1-one
CID 174589642
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide;dihydrochloride
CID 120827444
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
N-[3-(3,5-dimethylphenoxy)propyl]-N-methyl-2-morpholin-4-ylbenzamide
CID 131951452

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one?
The IUPAC name of 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one (CID 175147808) is 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one is CCC(NC)(C(=O)c1ccccc1N1CCOCC1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one?
The InChIKey is FXRVCSRKXSHKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-17(18-2,19(3)4)16(21)14-8-6-7-9-15(14)20-10-12-22-13-11-20/h6-9,18H,5,10-13H2,1-4H3.
What are the key properties of 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one?
2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one has a molecular weight of 305.42 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(methylamino)-1-(2-morpholin-4-ylphenyl)butan-1-one is sourced from PubChem (CID 175147808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).