(3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone

C18H25NO2 — CID 114601991

IUPAC(3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H25NO2/c1-2-9-19-10-11-21-17(13-19)18(20)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12,14,17H,2-3,5-6,9-11,13H2,1H3
InChIKeyRHGDJQIPSIPWEH-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.25
Rot. Bonds5

About (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone

(3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone (PubChem CID 114601991) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone
PubChem CID114601991
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone
SMILESCCCN1CCOC(C(=O)c2cccc(C3CCC3)c2)C1
InChIInChI=1S/C18H25NO2/c1-2-9-19-10-11-21-17(13-19)18(20)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12,14,17H,2-3,5-6,9-11,13H2,1H3
InChIKeyRHGDJQIPSIPWEH-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663285
(5-methyl-3-pyridinyl)-(4-propylmorpholin-2-yl)methanone
CID 113297079
3-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]benzoic acid
CID 72871214
3,4-dihydro-2H-chromen-8-yl-(4-propylmorpholin-2-yl)methanone
CID 114744267
(2,4-difluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79669007
2,3-dihydro-1-benzofuran-7-yl-(4-propylmorpholin-2-yl)methanone
CID 114744266
(3-cyclobutylphenyl)-(5-methyloxolan-2-yl)methanone
CID 115814724
(1-ethylpyrazol-4-yl)-(4-propylmorpholin-2-yl)methanone
CID 79669008
(5-bromo-2-fluorophenyl)-(4-propylmorpholin-2-yl)methanone
CID 79742554
(4-propylmorpholin-2-yl)-(3-propyltriazol-4-yl)methanone
CID 114686036
2-(3-fluorophenyl)-1-(4-propylmorpholin-2-yl)ethanone
CID 79669537
(2,5-dimethoxyphenyl)-(4-propylmorpholin-2-yl)methanone
CID 79663278

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone?
The IUPAC name of (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone (CID 114601991) is (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone.
What is the SMILES notation for (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone?
The canonical SMILES for (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone is CCCN1CCOC(C(=O)c2cccc(C3CCC3)c2)C1.
What is the InChIKey of (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone?
The InChIKey is RHGDJQIPSIPWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-2-9-19-10-11-21-17(13-19)18(20)16-8-4-7-15(12-16)14-5-3-6-14/h4,7-8,12,14,17H,2-3,5-6,9-11,13H2,1H3.
What are the key properties of (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone?
(3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone has a molecular weight of 287.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(4-propylmorpholin-2-yl)methanone is sourced from PubChem (CID 114601991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).