2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

C21H30N2O5 — CID 22680140

IUPAC2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H30N2O5/c24-20(18-6-1-2-7-19(18)21(25)26)22-15-16-4-3-5-17(14-16)28-13-10-23-8-11-27-12-9-23/h3-5,14,18-19H,1-2,6-13,15H2,(H,22,24)(H,25,26)
InChIKeyYQGLYFQZHMIWNQ-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.90
Rot. Bonds8

About 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 22680140) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID22680140
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)NCc1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C21H30N2O5/c24-20(18-6-1-2-7-19(18)21(25)26)22-15-16-4-3-5-17(14-16)28-13-10-23-8-11-27-12-9-23/h3-5,14,18-19H,1-2,6-13,15H2,(H,22,24)(H,25,26)
InChIKeyYQGLYFQZHMIWNQ-UHFFFAOYSA-N
XLogP1.90
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(2-piperidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 22685902
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
3-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]cyclohexane-1-carboxamide
CID 119865297
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-2-carboxamide
CID 119865335
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
(3R)-1-[(3-fluorophenyl)methyl]-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 52819283
(2R)-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]morpholine-4-carboxamide
CID 52512106
1-(1-cyclohexylpiperidin-3-yl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 86904644
3-amino-2-methyl-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide
CID 120503385
N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 48693485
(2S)-2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]butanamide;dihydrochloride
CID 119865316
1-(3-ethylphenyl)-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 48638168

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 22680140) is 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)NCc1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is YQGLYFQZHMIWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c24-20(18-6-1-2-7-19(18)21(25)26)22-15-16-4-3-5-17(14-16)28-13-10-23-8-11-27-12-9-23/h3-5,14,18-19H,1-2,6-13,15H2,(H,22,24)(H,25,26).
What are the key properties of 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid?
2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-morpholin-4-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22680140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).