(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate

C21H25NO4 — CID 14592484

IUPAC(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate
SMILESO=C(OC(COCc1ccccc1)CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25NO4/c23-21(19-9-5-2-6-10-19)26-20(15-22-11-13-24-14-12-22)17-25-16-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyUTZQGXUWHQFVAV-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.76
Rot. Bonds8

About (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate

(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate (PubChem CID 14592484) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate.

Molecular Properties

Compound Name(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate
PubChem CID14592484
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate
SMILESO=C(OC(COCc1ccccc1)CN1CCOCC1)c1ccccc1
InChIInChI=1S/C21H25NO4/c23-21(19-9-5-2-6-10-19)26-20(15-22-11-13-24-14-12-22)17-25-16-18-7-3-1-4-8-18/h1-10,20H,11-17H2
InChIKeyUTZQGXUWHQFVAV-UHFFFAOYSA-N
XLogP2.76
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzoyloxy-3-morpholin-4-ylpropane-1-sulfonic acid
CID 129040781
1,3-di(piperidin-1-yl)propan-2-yl benzoate dichloride
CID 45108743
methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
CID 140841569
1-morpholin-4-ylpropan-2-yl 3-phenylbenzoate
CID 123332358
acetonitrile;bis([1-(1,3-dioxoisoindol-2-yl)-3-morpholin-4-ylpropan-2-yl] 4-methylbenzoate)
CID 155823124
4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride
CID 21228856
[(1S)-1-[(4R)-2-oxo-1,3-oxazolidin-4-yl]-2-phenylmethoxyethyl] benzoate
CID 15923967
1,3-bis(phenylmethoxy)propan-2-yl propanoate
CID 172575065
[1-[2-(1-adamantyl)ethoxy]-3-morpholin-4-ylpropan-2-yl] 3,4-dimethoxybenzoate
CID 4728885
2,5-bis(morpholin-4-ylmethyl)-1,6-diphenylhexane-1,6-dione;hydrochloride
CID 6603036
(2R,3R)-2,3-dibenzoyloxy-4-oxo-4-[(2R)-1-phenylmethoxy-3-(propan-2-ylamino)propan-2-yl]oxybutanoic acid
CID 2793793
2-phenylmethoxyethane-1,1-diol
CID 59866645

Frequently Asked Questions

What is the IUPAC name of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate?
The IUPAC name of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate (CID 14592484) is (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate.
What is the SMILES notation for (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate?
The canonical SMILES for (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate is O=C(OC(COCc1ccccc1)CN1CCOCC1)c1ccccc1.
What is the InChIKey of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate?
The InChIKey is UTZQGXUWHQFVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c23-21(19-9-5-2-6-10-19)26-20(15-22-11-13-24-14-12-22)17-25-16-18-7-3-1-4-8-18/h1-10,20H,11-17H2.
What are the key properties of (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate?
(1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate has a molecular weight of 355.43 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-morpholin-4-yl-3-phenylmethoxypropan-2-yl) benzoate is sourced from PubChem (CID 14592484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).