ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

C19H27NO5 — CID 11291018

IUPACethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO5/c1-6-24-17(21)12-9-15(20-18(22)25-19(2,3)4)13-14-7-10-16(23-5)11-8-14/h7-12,15H,6,13H2,1-5H3,(H,20,22)/b12-9+/t15-/m0/s1
InChIKeyROUVLBUVMQJAGD-RZXPCSSPSA-N
MW349.43 g/mol
LogP3.25
Rot. Bonds7

About ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate

ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (PubChem CID 11291018) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
PubChem CID11291018
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Nameethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO5/c1-6-24-17(21)12-9-15(20-18(22)25-19(2,3)4)13-14-7-10-16(23-5)11-8-14/h7-12,15H,6,13H2,1-5H3,(H,20,22)/b12-9+/t15-/m0/s1
InChIKeyROUVLBUVMQJAGD-RZXPCSSPSA-N
XLogP3.25
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Tmppaa
CID 889955
N-[2-(4-prenyloxyphenyl)ethyl]tiglamide
CID 101683175
N-cyclohexyl-3-(4-ethoxyphenyl)acrylamide
CID 797113
Piperovatine
CID 5374352
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6140233
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6182229
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 16520434
[2-(cycloheptylamino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 24818368
Ethyl {4-[2-(acetylamino)ethyl]phenoxy}acetate
CID 871461
3-bromo-N-(4-methoxyphenethyl)-2-oxo-2H-pyran-5-carboxamide
CID 1427422
4-Methoxyphenyl 1-(4-butoxyphenyl)propylcarbamate
CID 20872773
Phenyl 1-(4-butoxyphenyl)propylcarbamate
CID 20872827

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The IUPAC name of ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate (CID 11291018) is ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate.
What is the SMILES notation for ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The canonical SMILES for ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is CCOC(=O)/C=C/[C@@H](Cc1ccc(OC)cc1)NC(=O)OC(C)(C)C.
What is the InChIKey of ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
The InChIKey is ROUVLBUVMQJAGD-RZXPCSSPSA-N. The full InChI is InChI=1S/C19H27NO5/c1-6-24-17(21)12-9-15(20-18(22)25-19(2,3)4)13-14-7-10-16(23-5)11-8-14/h7-12,15H,6,13H2,1-5H3,(H,20,22)/b12-9+/t15-/m0/s1.
What are the key properties of ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate?
ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate has a molecular weight of 349.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R)-5-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate is sourced from PubChem (CID 11291018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).