N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide

C20H26N2O3 — CID 47042325

IUPACN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccccc1CN1CC(C)OC(C)C1
InChIInChI=1S/C20H26N2O3/c1-14-11-22(12-15(2)25-14)13-18-7-5-4-6-17(18)10-21-20(23)19-8-9-24-16(19)3/h4-9,14-15H,10-13H2,1-3H3,(H,21,23)
InChIKeyJIZFUCVFMSXNPT-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.13
Rot. Bonds5

About N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide (PubChem CID 47042325) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
PubChem CID47042325
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)NCc1ccccc1CN1CC(C)OC(C)C1
InChIInChI=1S/C20H26N2O3/c1-14-11-22(12-15(2)25-14)13-18-7-5-4-6-17(18)10-21-20(23)19-8-9-24-16(19)3/h4-9,14-15H,10-13H2,1-3H3,(H,21,23)
InChIKeyJIZFUCVFMSXNPT-UHFFFAOYSA-N
XLogP3.13
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[2-oxo-2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethyl]furan-3-carboxamide
CID 55826262
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 51121223
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
1-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359340
trans-(1R,2R)-2-amino-N-[[2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 125146554
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55783988
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55745875
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-thiophen-3-ylpropanamide
CID 47042309

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide (CID 47042325) is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)NCc1ccccc1CN1CC(C)OC(C)C1.
What is the InChIKey of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
The InChIKey is JIZFUCVFMSXNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14-11-22(12-15(2)25-14)13-18-7-5-4-6-17(18)10-21-20(23)19-8-9-24-16(19)3/h4-9,14-15H,10-13H2,1-3H3,(H,21,23).
What are the key properties of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide?
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 47042325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).