[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone

C22H34N2O3 — CID 157013660

IUPAC[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H](C(C)C)O1
InChIInChI=1S/C22H34N2O3/c1-4-5-6-20-15-24(16-21(27-20)17(2)3)22(25)18-7-9-19(10-8-18)23-11-13-26-14-12-23/h7-10,17,20-21H,4-6,11-16H2,1-3H3/t20-,21-/m1/s1
InChIKeyIWLKDKAGNAWZLD-NHCUHLMSSA-N
MW374.53 g/mol
LogP3.58
Rot. Bonds6

About [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone (PubChem CID 157013660) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone
PubChem CID157013660
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H](C(C)C)O1
InChIInChI=1S/C22H34N2O3/c1-4-5-6-20-15-24(16-21(27-20)17(2)3)22(25)18-7-9-19(10-8-18)23-11-13-26-14-12-23/h7-10,17,20-21H,4-6,11-16H2,1-3H3/t20-,21-/m1/s1
InChIKeyIWLKDKAGNAWZLD-NHCUHLMSSA-N
XLogP3.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-pyridin-4-ylmethanone
CID 155508835
1-[3-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]phenyl]pyrrolidin-2-one
CID 155500622
2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile
CID 155508248
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
CID 155498952
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 137340516
(3S,4S)-4-methyl-1-(4-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952745
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 134707354
[4-[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]piperidin-1-yl]-phenylmethanone;formic acid
CID 155971738
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 155502885
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 155912826
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 155504162
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 155510237

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone (CID 157013660) is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone is CCCC[C@@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)C[C@H](C(C)C)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone?
The InChIKey is IWLKDKAGNAWZLD-NHCUHLMSSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-4-5-6-20-15-24(16-21(27-20)17(2)3)22(25)18-7-9-19(10-8-18)23-11-13-26-14-12-23/h7-10,17,20-21H,4-6,11-16H2,1-3H3/t20-,21-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone?
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone has a molecular weight of 374.53 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 157013660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).