N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide

C20H27ClN2O4 — CID 95161860

IUPACN-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C20H27ClN2O4/c1-13-11-23(12-20(2,3)27-13)19(25)18(24)22-14-8-9-17(16(21)10-14)26-15-6-4-5-7-15/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXBSSAUUXGAAYCS-CYBMUJFWSA-N
MW394.90 g/mol
LogP3.63
Rot. Bonds3

About N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide

N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide (PubChem CID 95161860) has the molecular formula C20H27ClN2O4 and a molecular weight of 394.90 g/mol. Its IUPAC name is N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide
PubChem CID95161860
Molecular FormulaC20H27ClN2O4
Molecular Weight394.90 g/mol
Exact Mass394.17
IUPAC NameN-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide
SMILESC[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC(C)(C)O1
InChIInChI=1S/C20H27ClN2O4/c1-13-11-23(12-20(2,3)27-13)19(25)18(24)22-14-8-9-17(16(21)10-14)26-15-6-4-5-7-15/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyXBSSAUUXGAAYCS-CYBMUJFWSA-N
XLogP3.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyclopentyloxyphenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48640265
N-(5-acetamido-2-chlorophenyl)-2,2,6-trimethylmorpholine-4-carboxamide
CID 48641749
(2R)-2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)propanamide;hydrochloride
CID 119302889
N-(3-chloro-4-methoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 108501193
5-[(3-chloro-4-cyclopentyloxyanilino)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168539123
N-(4-cyclobutyloxy-3-fluorophenyl)-2-oxo-2-(2,2,3,3-tetramethylazetidin-1-yl)acetamide
CID 99789621
N-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxo-2-thiomorpholin-4-ylacetamide
CID 97063830
3-(3-chloro-4-cyclopentyloxyphenyl)-1-(2-hydroxyethyl)-1-methylurea
CID 111431508
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 71886636
2-amino-N-(3-chloro-4-cyclopentyloxyphenyl)-3-methoxypropanamide;hydrochloride
CID 120987263
N-(3-chloro-4-cyclopentyloxyphenyl)-6-oxopiperidine-3-carboxamide
CID 51092092
1-(3-chloro-4-cyclopentyloxyphenyl)-3-(1-methoxypropan-2-yl)urea
CID 60577123

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide?
The IUPAC name of N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide (CID 95161860) is N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide is C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC3CCCC3)c(Cl)c2)CC(C)(C)O1.
What is the InChIKey of N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide?
The InChIKey is XBSSAUUXGAAYCS-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H27ClN2O4/c1-13-11-23(12-20(2,3)27-13)19(25)18(24)22-14-8-9-17(16(21)10-14)26-15-6-4-5-7-15/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide?
N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide has a molecular weight of 394.90 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyclopentyloxyphenyl)-2-oxo-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]acetamide is sourced from PubChem (CID 95161860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).