(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

C16H22N2O3 — CID 129429378

IUPAC(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H](CO)O1
InChIInChI=1S/C16H22N2O3/c1-11-8-18(9-14(10-19)21-11)16(20)17-7-13-6-12-4-2-3-5-15(12)13/h2-5,11,13-14,19H,6-10H2,1H3,(H,17,20)/t11-,13-,14+/m1/s1
InChIKeyYPBCJWSZYOXNBX-BNOWGMLFSA-N
MW290.36 g/mol
LogP1.12
Rot. Bonds3

About (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide

(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (PubChem CID 129429378) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
PubChem CID129429378
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
SMILESC[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H](CO)O1
InChIInChI=1S/C16H22N2O3/c1-11-8-18(9-14(10-19)21-11)16(20)17-7-13-6-12-4-2-3-5-15(12)13/h2-5,11,13-14,19H,6-10H2,1H3,(H,17,20)/t11-,13-,14+/m1/s1
InChIKeyYPBCJWSZYOXNBX-BNOWGMLFSA-N
XLogP1.12
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide with MolForge

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Related Compounds

(2S,6S)-N-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methyl]-2-(methoxymethyl)-6-methylmorpholine-4-carboxamide
CID 129431114
[4-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-methylmorpholin-2-yl]methanol
CID 102935829
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidine-1-carboxamide
CID 113225865
(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
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802772
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-(1,2,3,4-tetrahydroquinolin-3-yl)methanone
CID 102933003
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-[4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-2-oxoethyl]phenyl]acetamide
CID 166214928
(2R,6S)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124866660
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]benzoic acid
CID 102932282
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-oxobutanamide
CID 60815550

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The IUPAC name of (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide (CID 129429378) is (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide.
What is the SMILES notation for (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The canonical SMILES for (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H](CO)O1.
What is the InChIKey of (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
The InChIKey is YPBCJWSZYOXNBX-BNOWGMLFSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-8-18(9-14(10-19)21-11)16(20)17-7-13-6-12-4-2-3-5-15(12)13/h2-5,11,13-14,19H,6-10H2,1H3,(H,17,20)/t11-,13-,14+/m1/s1.
What are the key properties of (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide?
(2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-N-[[(7S)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide is sourced from PubChem (CID 129429378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).