[(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone

C22H25NO4 — CID 155901831

IUPAC[(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1[C@]1(C(=O)N2CCOCC2)C[C@H]1COc1ccccc1
InChIInChI=1S/C22H25NO4/c1-25-20-10-6-5-9-19(20)22(21(24)23-11-13-26-14-12-23)15-17(22)16-27-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/t17-,22-/m0/s1
InChIKeyLTTBIBZWTIKMHY-JTSKRJEESA-N
MW367.45 g/mol
LogP2.89
Rot. Bonds6

About [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone

[(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone (PubChem CID 155901831) has the molecular formula C22H25NO4 and a molecular weight of 367.45 g/mol. Its IUPAC name is [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone
PubChem CID155901831
Molecular FormulaC22H25NO4
Molecular Weight367.45 g/mol
Exact Mass367.18
IUPAC Name[(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone
SMILESCOc1ccccc1[C@]1(C(=O)N2CCOCC2)C[C@H]1COc1ccccc1
InChIInChI=1S/C22H25NO4/c1-25-20-10-6-5-9-19(20)22(21(24)23-11-13-26-14-12-23)15-17(22)16-27-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/t17-,22-/m0/s1
InChIKeyLTTBIBZWTIKMHY-JTSKRJEESA-N
XLogP2.89
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone?
The IUPAC name of [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone (CID 155901831) is [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone is COc1ccccc1[C@]1(C(=O)N2CCOCC2)C[C@H]1COc1ccccc1.
What is the InChIKey of [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone?
The InChIKey is LTTBIBZWTIKMHY-JTSKRJEESA-N. The full InChI is InChI=1S/C22H25NO4/c1-25-20-10-6-5-9-19(20)22(21(24)23-11-13-26-14-12-23)15-17(22)16-27-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/t17-,22-/m0/s1.
What are the key properties of [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone?
[(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone has a molecular weight of 367.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-1-(2-methoxyphenyl)-2-(phenoxymethyl)cyclopropyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155901831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).