(4-methylmorpholin-2-yl) 3,3-diphenylpropanoate

C20H23NO3 — CID 162811755

IUPAC(4-methylmorpholin-2-yl) 3,3-diphenylpropanoate
SMILESCN1CCOC(OC(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO3/c1-21-12-13-23-20(15-21)24-19(22)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3
InChIKeyDBKANONZKKHVPE-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.04
Rot. Bonds5

About (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate

(4-methylmorpholin-2-yl) 3,3-diphenylpropanoate (PubChem CID 162811755) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate.

Molecular Properties

Compound Name(4-methylmorpholin-2-yl) 3,3-diphenylpropanoate
PubChem CID162811755
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name(4-methylmorpholin-2-yl) 3,3-diphenylpropanoate
SMILESCN1CCOC(OC(=O)CC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C20H23NO3/c1-21-12-13-23-20(15-21)24-19(22)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3
InChIKeyDBKANONZKKHVPE-UHFFFAOYSA-N
XLogP3.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylmorpholin-2-yl) propanoate
CID 139651013
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
(4-ethylmorpholin-2-yl) 2-phenylacetate
CID 142769710
N-(2-hydroxy-1-phenylethyl)-4-methylmorpholine-2-carboxamide
CID 110001398
(2R)-N-(cyclopropylmethyl)-2-hydroxy-N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 128970007
N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
CID 111719911
2-[(4-methylmorpholin-2-yl)methylsulfanyl]benzoic acid
CID 79165122
(2R)-2-[[(2R)-4-methylmorpholin-2-yl]methylamino]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 98758976
1-(4-methylmorpholin-2-yl)-3-phenylpropan-1-one
CID 79077304
1-[4-(2-methylmorpholin-4-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 60558230
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995

Frequently Asked Questions

What is the IUPAC name of (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate?
The IUPAC name of (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate (CID 162811755) is (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate.
What is the SMILES notation for (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate?
The canonical SMILES for (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate is CN1CCOC(OC(=O)CC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate?
The InChIKey is DBKANONZKKHVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21-12-13-23-20(15-21)24-19(22)14-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18,20H,12-15H2,1H3.
What are the key properties of (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate?
(4-methylmorpholin-2-yl) 3,3-diphenylpropanoate has a molecular weight of 325.41 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylmorpholin-2-yl) 3,3-diphenylpropanoate is sourced from PubChem (CID 162811755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).