ethyl 3-benzyl-4-morpholin-4-ylbutanoate

C17H25NO3 — CID 166446817

IUPACethyl 3-benzyl-4-morpholin-4-ylbutanoate
SMILESCCOC(=O)CC(Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C17H25NO3/c1-2-21-17(19)13-16(12-15-6-4-3-5-7-15)14-18-8-10-20-11-9-18/h3-7,16H,2,8-14H2,1H3
InChIKeyRCCSKXZOTOPLFG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.13
Rot. Bonds7

About ethyl 3-benzyl-4-morpholin-4-ylbutanoate

ethyl 3-benzyl-4-morpholin-4-ylbutanoate (PubChem CID 166446817) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is ethyl 3-benzyl-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Nameethyl 3-benzyl-4-morpholin-4-ylbutanoate
PubChem CID166446817
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nameethyl 3-benzyl-4-morpholin-4-ylbutanoate
SMILESCCOC(=O)CC(Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C17H25NO3/c1-2-21-17(19)13-16(12-15-6-4-3-5-7-15)14-18-8-10-20-11-9-18/h3-7,16H,2,8-14H2,1H3
InChIKeyRCCSKXZOTOPLFG-UHFFFAOYSA-N
XLogP2.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-4-morpholin-4-ylbutanoate?
The IUPAC name of ethyl 3-benzyl-4-morpholin-4-ylbutanoate (CID 166446817) is ethyl 3-benzyl-4-morpholin-4-ylbutanoate.
What is the SMILES notation for ethyl 3-benzyl-4-morpholin-4-ylbutanoate?
The canonical SMILES for ethyl 3-benzyl-4-morpholin-4-ylbutanoate is CCOC(=O)CC(Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of ethyl 3-benzyl-4-morpholin-4-ylbutanoate?
The InChIKey is RCCSKXZOTOPLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-2-21-17(19)13-16(12-15-6-4-3-5-7-15)14-18-8-10-20-11-9-18/h3-7,16H,2,8-14H2,1H3.
What are the key properties of ethyl 3-benzyl-4-morpholin-4-ylbutanoate?
ethyl 3-benzyl-4-morpholin-4-ylbutanoate has a molecular weight of 291.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 166446817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).