4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid

C18H23NO4 — CID 119216482

IUPAC4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H23NO4/c20-17(19-10-11-23-12-16(19)18(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-12H2,(H,21,22)
InChIKeySSLLRXGDFWAQAV-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.66
Rot. Bonds3

About 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid

4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid (PubChem CID 119216482) has the molecular formula C18H23NO4 and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
PubChem CID119216482
Molecular FormulaC18H23NO4
Molecular Weight317.39 g/mol
Exact Mass317.16
IUPAC Name4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C18H23NO4/c20-17(19-10-11-23-12-16(19)18(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-12H2,(H,21,22)
InChIKeySSLLRXGDFWAQAV-UHFFFAOYSA-N
XLogP2.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid (CID 119216482) is 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid?
The InChIKey is SSLLRXGDFWAQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO4/c20-17(19-10-11-23-12-16(19)18(21)22)15-8-6-14(7-9-15)13-4-2-1-3-5-13/h6-9,13,16H,1-5,10-12H2,(H,21,22).
What are the key properties of 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid?
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 119216482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).