N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide

C20H22N2O3 — CID 94825344

IUPACN-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
SMILESCN1CCO[C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C20H22N2O3/c1-22-10-11-24-14(13-22)12-21-20(23)19-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyKFGNINMIQOHQJE-AWEZNQCLSA-N
MW338.41 g/mol
LogP2.37
Rot. Bonds3

About N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide

N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide (PubChem CID 94825344) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
PubChem CID94825344
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
SMILESCN1CCO[C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)C1
InChIInChI=1S/C20H22N2O3/c1-22-10-11-24-14(13-22)12-21-20(23)19-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3,(H,21,23)/t14-/m0/s1
InChIKeyKFGNINMIQOHQJE-AWEZNQCLSA-N
XLogP2.37
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8511058
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79082206
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[[(2S)-4-methylmorpholin-2-yl]methylamino]propanamide
CID 129461179
N-[(4-methylmorpholin-2-yl)methyl]-3,3-diphenylpropanamide
CID 49094292
N-[[(2S)-4-benzylmorpholin-4-ium-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 8504065
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
2-(2-chlorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 49093905
4-methyl-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 49094811
2,6-dimethoxy-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 110710223

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide (CID 94825344) is N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide is CN1CCO[C@@H](CNC(=O)C2c3ccccc3Oc3ccccc32)C1.
What is the InChIKey of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
The InChIKey is KFGNINMIQOHQJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-22-10-11-24-14(13-22)12-21-20(23)19-15-6-2-4-8-17(15)25-18-9-5-3-7-16(18)19/h2-9,14,19H,10-13H2,1H3,(H,21,23)/t14-/m0/s1.
What are the key properties of N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide?
N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-methylmorpholin-2-yl]methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 94825344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).