methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate

C22H27NO4 — CID 57440694

IUPACmethyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate
SMILESCCCN1CCOC(c2ccc(OCc3ccccc3)c(C(=O)OC)c2)C1
InChIInChI=1S/C22H27NO4/c1-3-11-23-12-13-26-21(15-23)18-9-10-20(19(14-18)22(24)25-2)27-16-17-7-5-4-6-8-17/h4-10,14,21H,3,11-13,15-16H2,1-2H3
InChIKeyONGZIWAMQGCMKO-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.84
Rot. Bonds7

About methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate

methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate (PubChem CID 57440694) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate
PubChem CID57440694
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Namemethyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate
SMILESCCCN1CCOC(c2ccc(OCc3ccccc3)c(C(=O)OC)c2)C1
InChIInChI=1S/C22H27NO4/c1-3-11-23-12-13-26-21(15-23)18-9-10-20(19(14-18)22(24)25-2)27-16-17-7-5-4-6-8-17/h4-10,14,21H,3,11-13,15-16H2,1-2H3
InChIKeyONGZIWAMQGCMKO-UHFFFAOYSA-N
XLogP3.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489
4-benzyl-2-(3-methyl-4-phenylmethoxyphenyl)morpholine
CID 67032467
3,4-dimethoxy-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892558
methyl 5-(butylaminomethyl)-2-phenylmethoxybenzoate
CID 171385082
3-[2-[3-methoxy-4-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 67032631
methyl 5-(4-methylpiperazin-1-yl)sulfonyl-2-phenylmethoxybenzoate
CID 67107392
2-methoxy-N-[4-[(2R)-2-phenylmorpholin-4-yl]butyl]benzamide
CID 51866530
3-[2-[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]morpholin-4-yl]propanoyl chloride
CID 142765936
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
(2,2,2-trifluoroacetyl) 3-[2-(4-phenylmethoxyphenyl)morpholin-4-yl]propanoate
CID 87243620
methyl 2-[(4-ethylphenyl)methoxy]-5-[1-(pyridine-2-carbonyl)azetidin-3-yl]benzoate
CID 59633925

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate?
The IUPAC name of methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate (CID 57440694) is methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate.
What is the SMILES notation for methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate?
The canonical SMILES for methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate is CCCN1CCOC(c2ccc(OCc3ccccc3)c(C(=O)OC)c2)C1.
What is the InChIKey of methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate?
The InChIKey is ONGZIWAMQGCMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-3-11-23-12-13-26-21(15-23)18-9-10-20(19(14-18)22(24)25-2)27-16-17-7-5-4-6-8-17/h4-10,14,21H,3,11-13,15-16H2,1-2H3.
What are the key properties of methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate?
methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate has a molecular weight of 369.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenylmethoxy-5-(4-propylmorpholin-2-yl)benzoate is sourced from PubChem (CID 57440694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).