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

C22H32N2O3 — CID 155502885

IUPAC[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H](C2CC2)O1
InChIInChI=1S/C22H32N2O3/c1-2-3-6-18-15-24(16-21(27-18)17-9-10-17)22(25)19-7-4-5-8-20(19)23-11-13-26-14-12-23/h4-5,7-8,17-18,21H,2-3,6,9-16H2,1H3/t18-,21-/m1/s1
InChIKeyJPPLYBJPKNHXHD-WIYYLYMNSA-N
MW372.51 g/mol
LogP3.33
Rot. Bonds6

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

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone (PubChem CID 155502885) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
PubChem CID155502885
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H](C2CC2)O1
InChIInChI=1S/C22H32N2O3/c1-2-3-6-18-15-24(16-21(27-18)17-9-10-17)22(25)19-7-4-5-8-20(19)23-11-13-26-14-12-23/h4-5,7-8,17-18,21H,2-3,6,9-16H2,1H3/t18-,21-/m1/s1
InChIKeyJPPLYBJPKNHXHD-WIYYLYMNSA-N
XLogP3.33
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(furan-3-yl)methanone
CID 134712177
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone
CID 157013660
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
[3-(aminomethyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 119486562
(3R,4R)-4-hydroxy-1-(2-morpholin-4-ylbenzoyl)-3-propylpiperidine-3-carboxylic acid
CID 163314978
(3-aminoazepan-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 70747258
(2-morpholin-4-ylphenyl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 95321116
1-ethyl-3-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]urea
CID 46038614
[3-(2-chlorophenyl)pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 118778888
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-ylbenzamide
CID 71881693
[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 166621358
N-[(4-acetylmorpholin-2-yl)methyl]-2-morpholin-4-ylbenzamide
CID 131932759

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone (CID 155502885) is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone is CCCC[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)C[C@H](C2CC2)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone?
The InChIKey is JPPLYBJPKNHXHD-WIYYLYMNSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-2-3-6-18-15-24(16-21(27-18)17-9-10-17)22(25)19-7-4-5-8-20(19)23-11-13-26-14-12-23/h4-5,7-8,17-18,21H,2-3,6,9-16H2,1H3/t18-,21-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone?
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone has a molecular weight of 372.51 g/mol, XLogP of 3.33, 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-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone is sourced from PubChem (CID 155502885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).