4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid

C19H19NO5 — CID 119215842

IUPAC4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO5/c21-18(20-10-11-24-13-17(20)19(22)23)15-6-8-16(9-7-15)25-12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,23)
InChIKeyNRRXSFLSPNNTQL-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.19
Rot. Bonds5

About 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid

4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid (PubChem CID 119215842) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
PubChem CID119215842
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H19NO5/c21-18(20-10-11-24-13-17(20)19(22)23)15-6-8-16(9-7-15)25-12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,23)
InChIKeyNRRXSFLSPNNTQL-UHFFFAOYSA-N
XLogP2.19
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-4-[4-(phenoxymethyl)benzoyl]morpholin-3-yl]acetic acid
CID 129469768
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 119216307
(3R)-4-[3-(methoxymethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513663
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267
4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid
CID 119215971
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-(2-phenylpyrimidine-5-carbonyl)morpholine-3-carboxylic acid
CID 122146528
4-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
CID 120521755
4-[4-(pyrazol-1-ylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 119216021
(2S)-1-[4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365774
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid (CID 119215842) is 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid?
The InChIKey is NRRXSFLSPNNTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-18(20-10-11-24-13-17(20)19(22)23)15-6-8-16(9-7-15)25-12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,22,23).
What are the key properties of 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid?
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119215842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).