ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate

C20H21NO6 — CID 158635940

IUPACethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate
SMILESCCOC(=O)/C=C\C(=O)Cc1ccc(NC(=O)/C=C\C(=O)OC2CC2)cc1
InChIInChI=1S/C20H21NO6/c1-2-26-19(24)11-7-16(22)13-14-3-5-15(6-4-14)21-18(23)10-12-20(25)27-17-8-9-17/h3-7,10-12,17H,2,8-9,13H2,1H3,(H,21,23)/b11-7-,12-10-
InChIKeyGGTOGHMXBXQLCZ-QVOAAWBYSA-N
MW371.39 g/mol
LogP2.12
Rot. Bonds9

About ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate

ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate (PubChem CID 158635940) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate
PubChem CID158635940
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Nameethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate
SMILESCCOC(=O)/C=C\C(=O)Cc1ccc(NC(=O)/C=C\C(=O)OC2CC2)cc1
InChIInChI=1S/C20H21NO6/c1-2-26-19(24)11-7-16(22)13-14-3-5-15(6-4-14)21-18(23)10-12-20(25)27-17-8-9-17/h3-7,10-12,17H,2,8-9,13H2,1H3,(H,21,23)/b11-7-,12-10-
InChIKeyGGTOGHMXBXQLCZ-QVOAAWBYSA-N
XLogP2.12
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate?
The IUPAC name of ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate (CID 158635940) is ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate.
What is the SMILES notation for ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate?
The canonical SMILES for ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate is CCOC(=O)/C=C\C(=O)Cc1ccc(NC(=O)/C=C\C(=O)OC2CC2)cc1.
What is the InChIKey of ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate?
The InChIKey is GGTOGHMXBXQLCZ-QVOAAWBYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-2-26-19(24)11-7-16(22)13-14-3-5-15(6-4-14)21-18(23)10-12-20(25)27-17-8-9-17/h3-7,10-12,17H,2,8-9,13H2,1H3,(H,21,23)/b11-7-,12-10-.
What are the key properties of ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate?
ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate has a molecular weight of 371.39 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-5-[4-[[(Z)-4-cyclopropyloxy-4-oxobut-2-enoyl]amino]phenyl]-4-oxopent-2-enoate is sourced from PubChem (CID 158635940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).