2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone

C19H26ClNO3 — CID 97266841

IUPAC2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone
SMILESCC1(C)C[C@](CC(=O)N2CCOCC2)(c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H26ClNO3/c1-18(2)14-19(7-10-24-18,15-3-5-16(20)6-4-15)13-17(22)21-8-11-23-12-9-21/h3-6H,7-14H2,1-2H3/t19-/m0/s1
InChIKeyVNVZCZTXKZYMQO-IBGZPJMESA-N
MW351.87 g/mol
LogP3.42
Rot. Bonds3

About 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone

2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone (PubChem CID 97266841) has the molecular formula C19H26ClNO3 and a molecular weight of 351.87 g/mol. Its IUPAC name is 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone
PubChem CID97266841
Molecular FormulaC19H26ClNO3
Molecular Weight351.87 g/mol
Exact Mass351.16
IUPAC Name2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone
SMILESCC1(C)C[C@](CC(=O)N2CCOCC2)(c2ccc(Cl)cc2)CCO1
InChIInChI=1S/C19H26ClNO3/c1-18(2)14-19(7-10-24-18,15-3-5-16(20)6-4-15)13-17(22)21-8-11-23-12-9-21/h3-6H,7-14H2,1-2H3/t19-/m0/s1
InChIKeyVNVZCZTXKZYMQO-IBGZPJMESA-N
XLogP3.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.87
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

2-[4-(2-methoxyphenyl)-2,2-dimethyloxan-4-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 45143533
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
2-[(4S)-2,2-dimethyl-4-propyloxan-4-yl]-1-morpholin-4-ylethanone
CID 97265501
(1S,9R)-11-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]acetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 7077267
2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone
CID 166414867
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-(methylamino)acetamide
CID 119749418
1-amino-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]cyclopropane-1-carboxamide
CID 119749400
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
2-(4-chloro-2-methylphenyl)-1-morpholin-4-ylethanone
CID 67968225
(3R)-3-(4-chlorophenyl)-1-morpholin-4-yl-3-phenylpropan-1-one
CID 26317426
2-[4-[(4-chlorophenoxy)methyl]-1-(2-pyrrolidin-1-ylacetyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 110080381
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711690

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone (CID 97266841) is 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone is CC1(C)C[C@](CC(=O)N2CCOCC2)(c2ccc(Cl)cc2)CCO1.
What is the InChIKey of 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is VNVZCZTXKZYMQO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H26ClNO3/c1-18(2)14-19(7-10-24-18,15-3-5-16(20)6-4-15)13-17(22)21-8-11-23-12-9-21/h3-6H,7-14H2,1-2H3/t19-/m0/s1.
What are the key properties of 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone?
2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 351.87 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(4-chlorophenyl)-2,2-dimethyloxan-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97266841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).