2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one

C24H32N2O2 — CID 174401139

IUPAC2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
SMILESCCC(CCc1ccccc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(C)C
InChIInChI=1S/C24H32N2O2/c1-4-24(26(2)3,15-14-19-8-6-5-7-9-19)23(27)21-12-10-20(11-13-21)22-18-25-16-17-28-22/h5-13,22,25H,4,14-18H2,1-3H3
InChIKeyCYFQPNHLSOZHEI-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.87
Rot. Bonds8

About 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one

2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one (PubChem CID 174401139) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
PubChem CID174401139
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one
SMILESCCC(CCc1ccccc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(C)C
InChIInChI=1S/C24H32N2O2/c1-4-24(26(2)3,15-14-19-8-6-5-7-9-19)23(27)21-12-10-20(11-13-21)22-18-25-16-17-28-22/h5-13,22,25H,4,14-18H2,1-3H3
InChIKeyCYFQPNHLSOZHEI-UHFFFAOYSA-N
XLogP3.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-2-(dimethylamino)-1-(4-morpholin-2-ylphenyl)pentan-1-one
CID 174628580
2-benzyl-2-(dimethoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174772585
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
N,N-dimethyl-2-(4-morpholin-2-ylphenyl)-1-phenylpentan-3-amine
CID 174876057
azane;2-phenylmorpholine
CID 174664757
2-(methoxyamino)-1-(4-morpholin-2-ylphenyl)butan-1-one
CID 174869251
1-(2-chlorophenyl)-3-(4-morpholin-2-ylphenyl)propan-2-one
CID 58315659
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
3-benzyl-3-(dimethylamino)-1-phenylpentan-2-one;morpholine
CID 174613786

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one?
The IUPAC name of 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one (CID 174401139) is 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one is CCC(CCc1ccccc1)(C(=O)c1ccc(C2CNCCO2)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one?
The InChIKey is CYFQPNHLSOZHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-24(26(2)3,15-14-19-8-6-5-7-9-19)23(27)21-12-10-20(11-13-21)22-18-25-16-17-28-22/h5-13,22,25H,4,14-18H2,1-3H3.
What are the key properties of 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one?
2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one has a molecular weight of 380.53 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-ethyl-1-(4-morpholin-2-ylphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 174401139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).