ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate

C19H26FNO4 — CID 15516332

IUPACethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate
SMILESCCOC(=O)C/C=C(\F)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-5-24-17(22)12-11-15(20)16(13-14-9-7-6-8-10-14)21-18(23)25-19(2,3)4/h6-11,16H,5,12-13H2,1-4H3,(H,21,23)/b15-11-
InChIKeyXNJNPYFPQDPMNG-PTNGSMBKSA-N
MW351.42 g/mol
LogP3.93
Rot. Bonds7

About ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate

ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate (PubChem CID 15516332) has the molecular formula C19H26FNO4 and a molecular weight of 351.42 g/mol. Its IUPAC name is ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate
PubChem CID15516332
Molecular FormulaC19H26FNO4
Molecular Weight351.42 g/mol
Exact Mass351.18
IUPAC Nameethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate
SMILESCCOC(=O)C/C=C(\F)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26FNO4/c1-5-24-17(22)12-11-15(20)16(13-14-9-7-6-8-10-14)21-18(23)25-19(2,3)4/h6-11,16H,5,12-13H2,1-4H3,(H,21,23)/b15-11-
InChIKeyXNJNPYFPQDPMNG-PTNGSMBKSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate?
The IUPAC name of ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate (CID 15516332) is ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate.
What is the SMILES notation for ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate?
The canonical SMILES for ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate is CCOC(=O)C/C=C(\F)C(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate?
The InChIKey is XNJNPYFPQDPMNG-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H26FNO4/c1-5-24-17(22)12-11-15(20)16(13-14-9-7-6-8-10-14)21-18(23)25-19(2,3)4/h6-11,16H,5,12-13H2,1-4H3,(H,21,23)/b15-11-.
What are the key properties of ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate?
ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate has a molecular weight of 351.42 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-4-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylhex-3-enoate is sourced from PubChem (CID 15516332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).