morpholin-4-yl 2-butylbenzoate

C15H21NO3 — CID 54008064

IUPACmorpholin-4-yl 2-butylbenzoate
SMILESCCCCc1ccccc1C(=O)ON1CCOCC1
InChIInChI=1S/C15H21NO3/c1-2-3-6-13-7-4-5-8-14(13)15(17)19-16-9-11-18-12-10-16/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyKQHOBIXSZMYUFH-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds5

About morpholin-4-yl 2-butylbenzoate

morpholin-4-yl 2-butylbenzoate (PubChem CID 54008064) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is morpholin-4-yl 2-butylbenzoate.

Molecular Properties

Compound Namemorpholin-4-yl 2-butylbenzoate
PubChem CID54008064
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemorpholin-4-yl 2-butylbenzoate
SMILESCCCCc1ccccc1C(=O)ON1CCOCC1
InChIInChI=1S/C15H21NO3/c1-2-3-6-13-7-4-5-8-14(13)15(17)19-16-9-11-18-12-10-16/h4-5,7-8H,2-3,6,9-12H2,1H3
InChIKeyKQHOBIXSZMYUFH-UHFFFAOYSA-N
XLogP2.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl 2-butylbenzoate?
The IUPAC name of morpholin-4-yl 2-butylbenzoate (CID 54008064) is morpholin-4-yl 2-butylbenzoate.
What is the SMILES notation for morpholin-4-yl 2-butylbenzoate?
The canonical SMILES for morpholin-4-yl 2-butylbenzoate is CCCCc1ccccc1C(=O)ON1CCOCC1.
What is the InChIKey of morpholin-4-yl 2-butylbenzoate?
The InChIKey is KQHOBIXSZMYUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-6-13-7-4-5-8-14(13)15(17)19-16-9-11-18-12-10-16/h4-5,7-8H,2-3,6,9-12H2,1H3.
What are the key properties of morpholin-4-yl 2-butylbenzoate?
morpholin-4-yl 2-butylbenzoate has a molecular weight of 263.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl 2-butylbenzoate is sourced from PubChem (CID 54008064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).