2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide

C22H27ClN2O3 — CID 19631195

IUPAC2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-3-16(2)17-4-7-19(8-5-17)28-15-22(26)24-18-6-9-21(20(23)14-18)25-10-12-27-13-11-25/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,26)
InChIKeyOVRXRWUQTRJRMY-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.71
Rot. Bonds7

About 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide

2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide (PubChem CID 19631195) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
PubChem CID19631195
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1
InChIInChI=1S/C22H27ClN2O3/c1-3-16(2)17-4-7-19(8-5-17)28-15-22(26)24-18-6-9-21(20(23)14-18)25-10-12-27-13-11-25/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,26)
InChIKeyOVRXRWUQTRJRMY-UHFFFAOYSA-N
XLogP4.71
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-pyrrolidin-1-ylphenyl)acetamide
CID 19629925
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 1114490
N-(3-amino-4-morpholin-4-ylphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 28688998
2-(4-butan-2-ylphenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 2954143
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
N-[3-chloro-4-[4-(2,3,4,5,6-pentafluorophenyl)piperazin-1-yl]phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 4593744
methyl 5-[[2-(4-chlorophenoxy)acetyl]amino]-2-morpholin-4-ylbenzoate
CID 7328431
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-methylphenoxy)acetamide
CID 17220794
N-(3-bromo-4-morpholin-4-ylphenyl)-2-(4-bromophenoxy)acetamide
CID 17220799
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-2-phenoxyacetamide
CID 2995302
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 1048171

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide (CID 19631195) is 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1.
What is the InChIKey of 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
The InChIKey is OVRXRWUQTRJRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-3-16(2)17-4-7-19(8-5-17)28-15-22(26)24-18-6-9-21(20(23)14-18)25-10-12-27-13-11-25/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide?
2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide has a molecular weight of 402.92 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-ylphenoxy)-N-(3-chloro-4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 19631195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).