(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate

C26H26N2O5 — CID 58933856

IUPAC(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESO=C(NC[C@@H]1CN(C(=O)OCc2ccc(-c3ccccc3)cc2)CCO1)c1ccc(O)cc1
InChIInChI=1S/C26H26N2O5/c29-23-12-10-22(11-13-23)25(30)27-16-24-17-28(14-15-32-24)26(31)33-18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-13,24,29H,14-18H2,(H,27,30)/t24-/m1/s1
InChIKeyVGLQJEKTAOQNJC-XMMPIXPASA-N
MW446.50 g/mol
LogP3.83
Rot. Bonds6

About (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate

(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate (PubChem CID 58933856) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
PubChem CID58933856
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
SMILESO=C(NC[C@@H]1CN(C(=O)OCc2ccc(-c3ccccc3)cc2)CCO1)c1ccc(O)cc1
InChIInChI=1S/C26H26N2O5/c29-23-12-10-22(11-13-23)25(30)27-16-24-17-28(14-15-32-24)26(31)33-18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-13,24,29H,14-18H2,(H,27,30)/t24-/m1/s1
InChIKeyVGLQJEKTAOQNJC-XMMPIXPASA-N
XLogP3.83
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3-fluorophenyl)methyl 2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 58933722
(4-fluorophenyl)methyl (7R)-7-[[(4-hydroxybenzoyl)amino]methyl]-1,4-oxazepane-4-carboxylate
CID 58933863
(4-methylphenyl)methyl (2R)-2-[[(3-bromo-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 142177000
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
(4-fluorophenyl)methyl 2-[[(2-chloro-4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate
CID 69418707
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl 7-[(1H-pyrrole-3-carbonylamino)methyl]-1,4-oxazepane-4-carboxylate
CID 69417302
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
pyridin-4-ylmethyl 2-[2-[[(4-hydroxybenzoyl)amino]methyl]morpholin-4-yl]acetate
CID 142176899
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The IUPAC name of (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate (CID 58933856) is (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate.
What is the SMILES notation for (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The canonical SMILES for (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate is O=C(NC[C@@H]1CN(C(=O)OCc2ccc(-c3ccccc3)cc2)CCO1)c1ccc(O)cc1.
What is the InChIKey of (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
The InChIKey is VGLQJEKTAOQNJC-XMMPIXPASA-N. The full InChI is InChI=1S/C26H26N2O5/c29-23-12-10-22(11-13-23)25(30)27-16-24-17-28(14-15-32-24)26(31)33-18-19-6-8-21(9-7-19)20-4-2-1-3-5-20/h1-13,24,29H,14-18H2,(H,27,30)/t24-/m1/s1.
What are the key properties of (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate?
(4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate has a molecular weight of 446.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl (2R)-2-[[(4-hydroxybenzoyl)amino]methyl]morpholine-4-carboxylate is sourced from PubChem (CID 58933856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).