2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one

C23H30N2O2 — CID 68649647

IUPAC2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
SMILESCCC(Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1N(C)C
InChIInChI=1S/C23H30N2O2/c1-4-19(16-18-8-6-5-7-9-18)23(26)21-11-10-20(17-22(21)24(2)3)25-12-14-27-15-13-25/h5-11,17,19H,4,12-16H2,1-3H3
InChIKeyHONQAQBCFAXDBS-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.04
Rot. Bonds7

About 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one

2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one (PubChem CID 68649647) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one.

Molecular Properties

Compound Name2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
PubChem CID68649647
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one
SMILESCCC(Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1N(C)C
InChIInChI=1S/C23H30N2O2/c1-4-19(16-18-8-6-5-7-9-18)23(26)21-11-10-20(17-22(21)24(2)3)25-12-14-27-15-13-25/h5-11,17,19H,4,12-16H2,1-3H3
InChIKeyHONQAQBCFAXDBS-UHFFFAOYSA-N
XLogP4.04
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(dimethylamino)-2-methylphenyl]methyl]-1-(4-morpholin-4-ylphenyl)butan-1-one
CID 156698871
2-ethyl-3-(4-morpholin-4-ylphenyl)-1,4-diphenylbutan-1-one
CID 175266354
2-benzylbutanal;2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 175047147
2,6-bis(dimethylamino)-3,5-bis(4-morpholin-4-ylphenyl)-1,7-diphenylheptan-4-one
CID 175073819
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)butan-1-one;1-(4-morpholin-4-ylphenyl)-2-phenylethanone
CID 90024820
4-morpholin-4-yl-2-phenylmethoxybenzoic acid
CID 139820308
2-methyl-1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)-3-phenylpropan-1-one
CID 110355070
2-(dimethylamino)-1-(4-morpholin-4-ylphenyl)-5-phenylpentan-1-one
CID 57110605
4-[4-(1-phenylpentan-2-yl)phenyl]morpholine
CID 174948400
N-ethyl-N-[(3-morpholin-4-ylphenyl)methyl]acetamide
CID 144965173
2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)-5-phenylpentanal
CID 87659120
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one?
The IUPAC name of 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one (CID 68649647) is 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one.
What is the SMILES notation for 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one?
The canonical SMILES for 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one is CCC(Cc1ccccc1)C(=O)c1ccc(N2CCOCC2)cc1N(C)C.
What is the InChIKey of 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one?
The InChIKey is HONQAQBCFAXDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-4-19(16-18-8-6-5-7-9-18)23(26)21-11-10-20(17-22(21)24(2)3)25-12-14-27-15-13-25/h5-11,17,19H,4,12-16H2,1-3H3.
What are the key properties of 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one?
2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one has a molecular weight of 366.51 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-[2-(dimethylamino)-4-morpholin-4-ylphenyl]butan-1-one is sourced from PubChem (CID 68649647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).