[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone

C17H25NO3 — CID 134713725

IUPAC[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccoc2C)C[C@H](C2CC2)O1
InChIInChI=1S/C17H25NO3/c1-3-4-5-14-10-18(11-16(21-14)13-6-7-13)17(19)15-8-9-20-12(15)2/h8-9,13-14,16H,3-7,10-11H2,1-2H3/t14-,16-/m1/s1
InChIKeyANJVEMNANOANQW-GDBMZVCRSA-N
MW291.39 g/mol
LogP3.40
Rot. Bonds5

About [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 134713725) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
PubChem CID134713725
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2ccoc2C)C[C@H](C2CC2)O1
InChIInChI=1S/C17H25NO3/c1-3-4-5-14-10-18(11-16(21-14)13-6-7-13)17(19)15-8-9-20-12(15)2/h8-9,13-14,16H,3-7,10-11H2,1-2H3/t14-,16-/m1/s1
InChIKeyANJVEMNANOANQW-GDBMZVCRSA-N
XLogP3.40
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-morpholin-4-ylphenyl)methanone
CID 155502885
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(4-methoxy-2-pyridinyl)methanone
CID 134712136
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 155508884
2-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 155910877
(2,6-dimethylmorpholin-4-yl)-(2-methylfuran-3-yl)methanone
CID 25236975
1-[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 134702820
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(1-methylbenzimidazol-5-yl)methanone
CID 155505099
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
N-[3-[(2R,6S)-2-butyl-6-cyclopropylmorpholine-4-carbonyl]phenyl]cyclobutanecarboxamide
CID 134699558
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-(2-methylfuran-3-yl)methanone
CID 113412127
[3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 62348870
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
CID 155498952

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone (CID 134713725) is [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone is CCCC[C@@H]1CN(C(=O)c2ccoc2C)C[C@H](C2CC2)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is ANJVEMNANOANQW-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-4-5-14-10-18(11-16(21-14)13-6-7-13)17(19)15-8-9-20-12(15)2/h8-9,13-14,16H,3-7,10-11H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone?
[(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-cyclopropylmorpholin-4-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 134713725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).