6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one

C17H18N2O3 — CID 141321137

IUPAC6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
SMILESNC1CN(c2ccc(OCc3ccccc3)cc2)C(=O)CO1
InChIInChI=1S/C17H18N2O3/c18-16-10-19(17(20)12-22-16)14-6-8-15(9-7-14)21-11-13-4-2-1-3-5-13/h1-9,16H,10-12,18H2
InChIKeyMLVNVWWVQZSJDZ-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.91
Rot. Bonds4

About 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one

6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one (PubChem CID 141321137) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one.

Molecular Properties

Compound Name6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
PubChem CID141321137
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one
SMILESNC1CN(c2ccc(OCc3ccccc3)cc2)C(=O)CO1
InChIInChI=1S/C17H18N2O3/c18-16-10-19(17(20)12-22-16)14-6-8-15(9-7-14)21-11-13-4-2-1-3-5-13/h1-9,16H,10-12,18H2
InChIKeyMLVNVWWVQZSJDZ-UHFFFAOYSA-N
XLogP1.91
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2968114
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
4-(4-phenylmethoxyphenyl)morpholine-3,5-dione
CID 23821636
(6R)-4-ethyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67354065
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609
4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 54792619
1-phenyl-3-(4-phenylmethoxyphenyl)pyrrolidine-2,4-dione
CID 57032337
(6R)-4-tert-butyl-6-(4-phenylmethoxyphenyl)morpholin-3-one
CID 67352063
N-cyclohexyl-5-oxo-1-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190121
5-oxo-1-phenyl-N-(4-phenylmethoxyphenyl)pyrrolidine-3-carboxamide
CID 17080562
1-(4-phenylmethoxyphenyl)-4-pyridin-4-ylpiperazin-2-one
CID 54227295
4-(4-methylpiperidine-1-carbonyl)-1-(4-phenylmethoxyphenyl)pyrrolidin-2-one
CID 113190122

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one?
The IUPAC name of 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one (CID 141321137) is 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one.
What is the SMILES notation for 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one?
The canonical SMILES for 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one is NC1CN(c2ccc(OCc3ccccc3)cc2)C(=O)CO1.
What is the InChIKey of 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one?
The InChIKey is MLVNVWWVQZSJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c18-16-10-19(17(20)12-22-16)14-6-8-15(9-7-14)21-11-13-4-2-1-3-5-13/h1-9,16H,10-12,18H2.
What are the key properties of 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one?
6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one has a molecular weight of 298.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(4-phenylmethoxyphenyl)morpholin-3-one is sourced from PubChem (CID 141321137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).