(2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one

C18H23NO3 — CID 102029608

IUPAC(2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one
SMILESCOc1ccccc1N[C@@H](C1CCCCC1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C18H23NO3/c1-21-15-10-6-5-9-14(15)19-18(13-7-3-2-4-8-13)16-11-12-17(20)22-16/h5-6,9-13,16,18-19H,2-4,7-8H2,1H3/t16-,18+/m1/s1
InChIKeyJIAABGRWSWTSDZ-AEFFLSMTSA-N
MW301.39 g/mol
LogP3.54
Rot. Bonds5

About (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one

(2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one (PubChem CID 102029608) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one
PubChem CID102029608
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name(2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one
SMILESCOc1ccccc1N[C@@H](C1CCCCC1)[C@H]1C=CC(=O)O1
InChIInChI=1S/C18H23NO3/c1-21-15-10-6-5-9-14(15)19-18(13-7-3-2-4-8-13)16-11-12-17(20)22-16/h5-6,9-13,16,18-19H,2-4,7-8H2,1H3/t16-,18+/m1/s1
InChIKeyJIAABGRWSWTSDZ-AEFFLSMTSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one?
The IUPAC name of (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one (CID 102029608) is (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one is COc1ccccc1N[C@@H](C1CCCCC1)[C@H]1C=CC(=O)O1.
What is the InChIKey of (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one?
The InChIKey is JIAABGRWSWTSDZ-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H23NO3/c1-21-15-10-6-5-9-14(15)19-18(13-7-3-2-4-8-13)16-11-12-17(20)22-16/h5-6,9-13,16,18-19H,2-4,7-8H2,1H3/t16-,18+/m1/s1.
What are the key properties of (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one?
(2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one has a molecular weight of 301.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-cyclohexyl-(2-methoxyanilino)methyl]-2H-furan-5-one is sourced from PubChem (CID 102029608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).