(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide

C20H22N2O3 — CID 99641671

IUPAC(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1
InChIInChI=1S/C20H22N2O3/c23-17-6-3-5-15(11-17)19-13-22(8-9-25-19)20(24)21-12-16-10-14-4-1-2-7-18(14)16/h1-7,11,16,19,23H,8-10,12-13H2,(H,21,24)/t16-,19+/m1/s1
InChIKeyQSSIVPATMDKBGG-APWZRJJASA-N
MW338.41 g/mol
LogP2.82
Rot. Bonds3

About (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide

(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide (PubChem CID 99641671) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
PubChem CID99641671
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
SMILESO=C(NC[C@H]1Cc2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1
InChIInChI=1S/C20H22N2O3/c23-17-6-3-5-15(11-17)19-13-22(8-9-25-19)20(24)21-12-16-10-14-4-1-2-7-18(14)16/h1-7,11,16,19,23H,8-10,12-13H2,(H,21,24)/t16-,19+/m1/s1
InChIKeyQSSIVPATMDKBGG-APWZRJJASA-N
XLogP2.82
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-cyanophenyl)methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide
CID 129393763
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-1-carboxamide
CID 113225865
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2S)-2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 97066824
(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 97351555
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 124622379
[2-(3-hydroxyphenyl)morpholin-4-yl]-(1-methylsulfanylcyclopropyl)methanone
CID 122139221
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-1-morpholin-4-ylethanone
CID 66395230
(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 129429378
4-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)oxane-4-carboxamide
CID 115294070
4-N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-ylmethyl)morpholine-2,4-dicarboxamide
CID 136516118
[(2R)-2-(3-hydroxyphenyl)morpholin-4-yl]-(1H-indol-7-yl)methanone
CID 97233500
(2S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboxamide
CID 95934151

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide (CID 99641671) is (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide is O=C(NC[C@H]1Cc2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1.
What is the InChIKey of (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
The InChIKey is QSSIVPATMDKBGG-APWZRJJASA-N. The full InChI is InChI=1S/C20H22N2O3/c23-17-6-3-5-15(11-17)19-13-22(8-9-25-19)20(24)21-12-16-10-14-4-1-2-7-18(14)16/h1-7,11,16,19,23H,8-10,12-13H2,(H,21,24)/t16-,19+/m1/s1.
What are the key properties of (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide?
(2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(3-hydroxyphenyl)morpholine-4-carboxamide is sourced from PubChem (CID 99641671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).