(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

C15H21NO4 — CID 112507350

IUPAC(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C15H21NO4/c1-15(2)10-20-6-5-16(15)14(17)11-7-12(18-3)9-13(8-11)19-4/h7-9H,5-6,10H2,1-4H3
InChIKeyYBIXXCGWQNLEHW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds3

About (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone

(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 112507350) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID112507350
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCOCC2(C)C)c1
InChIInChI=1S/C15H21NO4/c1-15(2)10-20-6-5-16(15)14(17)11-7-12(18-3)9-13(8-11)19-4/h7-9H,5-6,10H2,1-4H3
InChIKeyYBIXXCGWQNLEHW-UHFFFAOYSA-N
XLogP1.95
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-dimethylmorpholin-4-yl)-4-(3-methoxyphenyl)butane-1,4-dione
CID 110624362
(4-amino-3-hydroxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 107074853
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416
(3,3-dimethylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 48521996
(3-chloro-4-nitrophenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 82781748
(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 94814885
3-[3-(3,3-dimethylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76906957
(3,3-dimethylmorpholin-4-yl)-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 110353758
N-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]morpholine-4-carboxamide
CID 110352817
1-[4-(3,3-dimethylmorpholine-4-carbonyl)phenyl]-3-phenylurea
CID 110352798
(3,5-dimethoxyphenyl)-(7-methoxy-3,3-dimethyl-1,4-dihydroisoquinolin-2-yl)methanone
CID 123524792
4-(5-fluorosulfonyloxypyridine-3-carbonyl)-3,3-dimethyl-1,4-oxazepane
CID 154881283

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone (CID 112507350) is (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is COc1cc(OC)cc(C(=O)N2CCOCC2(C)C)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is YBIXXCGWQNLEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2)10-20-6-5-16(15)14(17)11-7-12(18-3)9-13(8-11)19-4/h7-9H,5-6,10H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone?
(3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 279.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 112507350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).