1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one

C20H21NO3 — CID 174632021

IUPAC1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one
SMILESCCC(=O)c1c(C(=O)c2ccccc2)cccc1C1CNCCO1
InChIInChI=1S/C20H21NO3/c1-2-17(22)19-15(18-13-21-11-12-24-18)9-6-10-16(19)20(23)14-7-4-3-5-8-14/h3-10,18,21H,2,11-13H2,1H3
InChIKeyNYQWPHNWVAIYHL-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.17
Rot. Bonds5

About 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one

1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one (PubChem CID 174632021) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one
PubChem CID174632021
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one
SMILESCCC(=O)c1c(C(=O)c2ccccc2)cccc1C1CNCCO1
InChIInChI=1S/C20H21NO3/c1-2-17(22)19-15(18-13-21-11-12-24-18)9-6-10-16(19)20(23)14-7-4-3-5-8-14/h3-10,18,21H,2,11-13H2,1H3
InChIKeyNYQWPHNWVAIYHL-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methyl-3-morpholin-2-ylphenyl)-(4-methylsulfanylphenyl)methanone
CID 174981779
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CID 175555988
1-[4-[(2-morpholin-2-ylphenyl)methyl]phenyl]butan-2-one
CID 174790894
3-morpholin-2-yl-2-nitrobenzoic acid
CID 174973424
3-[(2R)-morpholin-2-yl]benzoic acid
CID 169449190
2-(2-methylphenyl)-1,4-oxazepane
CID 43498424
5-chloro-2-morpholin-2-ylbenzoic acid
CID 174949495
2-(2-ethyl-1H-pyrrol-3-yl)morpholine
CID 174889160
2,6-dimethyl-3-morpholin-2-ylphenol
CID 117296490
3-morpholin-2-yl-2-nitrosophenol
CID 174751640
2-morpholin-2-ylbenzonitrile;hydrochloride
CID 77492763
[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone
CID 10829354

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one?
The IUPAC name of 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one (CID 174632021) is 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one?
The canonical SMILES for 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one is CCC(=O)c1c(C(=O)c2ccccc2)cccc1C1CNCCO1.
What is the InChIKey of 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one?
The InChIKey is NYQWPHNWVAIYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-17(22)19-15(18-13-21-11-12-24-18)9-6-10-16(19)20(23)14-7-4-3-5-8-14/h3-10,18,21H,2,11-13H2,1H3.
What are the key properties of 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one?
1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one has a molecular weight of 323.39 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzoyl-6-morpholin-2-ylphenyl)propan-1-one is sourced from PubChem (CID 174632021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).