4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide

C21H29ClN2O4 — CID 90607266

IUPAC4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N(CCN1CCOCC1)C1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O4/c22-18-3-1-17(2-4-18)20(25)5-6-21(26)24(19-7-13-27-14-8-19)10-9-23-11-15-28-16-12-23/h1-4,19H,5-16H2
InChIKeyWGLMWCSAWJBYRD-UHFFFAOYSA-N
MW408.93 g/mol
LogP2.64
Rot. Bonds8

About 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide

4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide (PubChem CID 90607266) has the molecular formula C21H29ClN2O4 and a molecular weight of 408.93 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide
PubChem CID90607266
Molecular FormulaC21H29ClN2O4
Molecular Weight408.93 g/mol
Exact Mass408.18
IUPAC Name4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide
SMILESO=C(CCC(=O)N(CCN1CCOCC1)C1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C21H29ClN2O4/c22-18-3-1-17(2-4-18)20(25)5-6-21(26)24(19-7-13-27-14-8-19)10-9-23-11-15-28-16-12-23/h1-4,19H,5-16H2
InChIKeyWGLMWCSAWJBYRD-UHFFFAOYSA-N
XLogP2.64
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.93
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide (CID 90607266) is 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide is O=C(CCC(=O)N(CCN1CCOCC1)C1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide?
The InChIKey is WGLMWCSAWJBYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O4/c22-18-3-1-17(2-4-18)20(25)5-6-21(26)24(19-7-13-27-14-8-19)10-9-23-11-15-28-16-12-23/h1-4,19H,5-16H2.
What are the key properties of 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide?
4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide has a molecular weight of 408.93 g/mol, XLogP of 2.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-4-oxobutanamide is sourced from PubChem (CID 90607266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).