ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate

C27H29NO4 — CID 57119322

IUPACethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate
SMILESCCOC(=O)C(OCC)C(CC)(c1ccccc1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H29NO4/c1-4-27(20-14-8-7-9-15-20,25(30-5-2)26(29)31-6-3)28-21-16-10-12-18-23(21)32-24-19-13-11-17-22(24)28/h7-19,25H,4-6H2,1-3H3
InChIKeyWZFOVFJAGQRALB-UHFFFAOYSA-N
MW431.53 g/mol
LogP6.20
Rot. Bonds8

About ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate

ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate (PubChem CID 57119322) has the molecular formula C27H29NO4 and a molecular weight of 431.53 g/mol. Its IUPAC name is ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate
PubChem CID57119322
Molecular FormulaC27H29NO4
Molecular Weight431.53 g/mol
Exact Mass431.21
IUPAC Nameethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate
SMILESCCOC(=O)C(OCC)C(CC)(c1ccccc1)N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C27H29NO4/c1-4-27(20-14-8-7-9-15-20,25(30-5-2)26(29)31-6-3)28-21-16-10-12-18-23(21)32-24-19-13-11-17-22(24)28/h7-19,25H,4-6H2,1-3H3
InChIKeyWZFOVFJAGQRALB-UHFFFAOYSA-N
XLogP6.20
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.53
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 3-(3-ethoxycarbonylpentan-3-yl)-2-oxo-4-propan-2-yl-1,4-benzoxazine-3-carboxylate
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ethyl (2S)-2-amino-2-phenylpropanoate
CID 86615568
2-ethoxycarbonyl-4-hydroxy-4-phenylpentanoic acid
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CID 10853204
ethyl (2R)-2-amino-2-phenylacetate
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(2S)-2-ethoxy-3-[4-(2-phenoxazin-10-yl(214C)ethoxy)phenyl]propanoic acid
CID 10905930
ethyl 2-[2-(1,3,2-benzodioxazol-2-yl)ethoxy]-3-oxobutanoate
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ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate?
The IUPAC name of ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate (CID 57119322) is ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate.
What is the SMILES notation for ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate?
The canonical SMILES for ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate is CCOC(=O)C(OCC)C(CC)(c1ccccc1)N1c2ccccc2Oc2ccccc21.
What is the InChIKey of ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate?
The InChIKey is WZFOVFJAGQRALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4/c1-4-27(20-14-8-7-9-15-20,25(30-5-2)26(29)31-6-3)28-21-16-10-12-18-23(21)32-24-19-13-11-17-22(24)28/h7-19,25H,4-6H2,1-3H3.
What are the key properties of ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate?
ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate has a molecular weight of 431.53 g/mol, XLogP of 6.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-3-phenoxazin-10-yl-3-phenylpentanoate is sourced from PubChem (CID 57119322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).