4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide

C22H33N3O3 — CID 39515011

IUPAC4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(C(=O)NCCN3CCCCCC3=O)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H33N3O3/c1-17-14-24(15-18(2)28-17)16-19-7-9-20(10-8-19)22(27)23-11-13-25-12-5-3-4-6-21(25)26/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,27)/t17-,18-/m1/s1
InChIKeyXMNFJPSOHIBQLP-QZTJIDSGSA-N
MW387.52 g/mol
LogP2.43
Rot. Bonds6

About 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide

4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide (PubChem CID 39515011) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
PubChem CID39515011
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
SMILESC[C@@H]1CN(Cc2ccc(C(=O)NCCN3CCCCCC3=O)cc2)C[C@@H](C)O1
InChIInChI=1S/C22H33N3O3/c1-17-14-24(15-18(2)28-17)16-19-7-9-20(10-8-19)22(27)23-11-13-25-12-5-3-4-6-21(25)26/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,27)/t17-,18-/m1/s1
InChIKeyXMNFJPSOHIBQLP-QZTJIDSGSA-N
XLogP2.43
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide
CID 39515012
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 86944964
2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91793022
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
4-[(2-oxopyrrolidin-1-yl)methyl]-N-propylbenzamide
CID 32745199
4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 126432469
4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 36642356
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 55623953
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-piperidin-3-ylethyl)benzamide
CID 119557065
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-piperidin-4-ylbenzamide
CID 119387921
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The IUPAC name of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide (CID 39515011) is 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide is C[C@@H]1CN(Cc2ccc(C(=O)NCCN3CCCCCC3=O)cc2)C[C@@H](C)O1.
What is the InChIKey of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
The InChIKey is XMNFJPSOHIBQLP-QZTJIDSGSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-17-14-24(15-18(2)28-17)16-19-7-9-20(10-8-19)22(27)23-11-13-25-12-5-3-4-6-21(25)26/h7-10,17-18H,3-6,11-16H2,1-2H3,(H,23,27)/t17-,18-/m1/s1.
What are the key properties of 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide?
4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide has a molecular weight of 387.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-N-[2-(2-oxoazepan-1-yl)ethyl]benzamide is sourced from PubChem (CID 39515011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).