2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one

C23H29NO4 — CID 22623564

IUPAC2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C23H29NO4/c1-4-23(24-12-14-28-15-13-24,17-18-8-6-5-7-9-18)22(25)19-10-11-20(26-2)21(16-19)27-3/h5-11,16H,4,12-15,17H2,1-3H3
InChIKeyKNVGEVSDKAHVAH-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.61
Rot. Bonds8

About 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one

2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one (PubChem CID 22623564) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one
PubChem CID22623564
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC Name2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one
SMILESCCC(Cc1ccccc1)(C(=O)c1ccc(OC)c(OC)c1)N1CCOCC1
InChIInChI=1S/C23H29NO4/c1-4-23(24-12-14-28-15-13-24,17-18-8-6-5-7-9-18)22(25)19-10-11-20(26-2)21(16-19)27-3/h5-11,16H,4,12-15,17H2,1-3H3
InChIKeyKNVGEVSDKAHVAH-UHFFFAOYSA-N
XLogP3.61
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-benzyl-1-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-1-one
CID 22019759
1-(3,4-dimethoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 79058805
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
[(2S)-2-benzyl-1-(4-morpholin-4-ylphenyl)-1-oxobutan-2-yl]-dimethylazanium
CID 6966491
1-(4-benzylphenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 139636623
3,4-dimethoxybenzoic acid;methanol
CID 144580050
2-benzyl-2-morpholin-4-ylpropanedioic acid
CID 19736376
[2-methoxy-4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 1102766
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
4-(4-ethoxy-3-methoxyphenyl)-1-morpholin-4-yl-6-phenylhexa-3,5-dien-1-one
CID 154363882

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one (CID 22623564) is 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one is CCC(Cc1ccccc1)(C(=O)c1ccc(OC)c(OC)c1)N1CCOCC1.
What is the InChIKey of 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one?
The InChIKey is KNVGEVSDKAHVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-4-23(24-12-14-28-15-13-24,17-18-8-6-5-7-9-18)22(25)19-10-11-20(26-2)21(16-19)27-3/h5-11,16H,4,12-15,17H2,1-3H3.
What are the key properties of 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one?
2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one has a molecular weight of 383.49 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(3,4-dimethoxyphenyl)-2-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 22623564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).