[2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one

C24H32N2O3 — CID 175475849

IUPAC[2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one
SMILESCCC(C)=O.CN(C)C1NCCOC1(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2.C4H8O/c1-22(2)19-20(24-14-13-21-19,15-16-9-5-3-6-10-16)18(23)17-11-7-4-8-12-17;1-3-4(2)5/h3-12,19,21H,13-15H2,1-2H3;3H2,1-2H3
InChIKeyKMAGBMCJLVDACD-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.34
Rot. Bonds6

About [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one

[2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one (PubChem CID 175475849) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one.

Molecular Properties

Compound Name[2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one
PubChem CID175475849
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name[2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one
SMILESCCC(C)=O.CN(C)C1NCCOC1(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C20H24N2O2.C4H8O/c1-22(2)19-20(24-14-13-21-19,15-16-9-5-3-6-10-16)18(23)17-11-7-4-8-12-17;1-3-4(2)5/h3-12,19,21H,13-15H2,1-2H3;3H2,1-2H3
InChIKeyKMAGBMCJLVDACD-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one?
The IUPAC name of [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one (CID 175475849) is [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one.
What is the SMILES notation for [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one?
The canonical SMILES for [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one is CCC(C)=O.CN(C)C1NCCOC1(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one?
The InChIKey is KMAGBMCJLVDACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2.C4H8O/c1-22(2)19-20(24-14-13-21-19,15-16-9-5-3-6-10-16)18(23)17-11-7-4-8-12-17;1-3-4(2)5/h3-12,19,21H,13-15H2,1-2H3;3H2,1-2H3.
What are the key properties of [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one?
[2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one has a molecular weight of 396.53 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-benzyl-3-(dimethylamino)morpholin-2-yl]-phenylmethanone;butan-2-one is sourced from PubChem (CID 175475849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).