ethyl (E)-4,5-dibenzamidopent-4-enoate

C21H22N2O4 — CID 6377265

IUPACethyl (E)-4,5-dibenzamidopent-4-enoate
SMILESCCOC(=O)CC/C(=C\NC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-2-27-19(24)14-13-18(23-21(26)17-11-7-4-8-12-17)15-22-20(25)16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H,22,25)(H,23,26)/b18-15+
InChIKeyMENJFTDXBZFZAN-OBGWFSINSA-N
MW366.42 g/mol
LogP3.03
Rot. Bonds8

About ethyl (E)-4,5-dibenzamidopent-4-enoate

ethyl (E)-4,5-dibenzamidopent-4-enoate (PubChem CID 6377265) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl (E)-4,5-dibenzamidopent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-4,5-dibenzamidopent-4-enoate
PubChem CID6377265
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Nameethyl (E)-4,5-dibenzamidopent-4-enoate
SMILESCCOC(=O)CC/C(=C\NC(=O)c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-2-27-19(24)14-13-18(23-21(26)17-11-7-4-8-12-17)15-22-20(25)16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H,22,25)(H,23,26)/b18-15+
InChIKeyMENJFTDXBZFZAN-OBGWFSINSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(Z)-1-ethoxy-4,4-dimethyl-3-oxopent-1-enyl]benzamide
CID 11492804
ethyl 4-(4-benzamido-2,5-dimethoxyanilino)-4-oxobutanoate
CID 9087779
ethyl (Z)-3-phenylpent-3-enoate
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N-oct-2-en-3-ylbenzamide
CID 69089961
ethyl 3-anilinopropanoate
CID 10910393
benzamide;3-ethoxy-3-oxopropanoic acid
CID 174904101
(2-benzamido-2-oxoethyl) 3-(4-ethoxyphenoxy)propanoate
CID 35836444
benzohydrazide;propane
CID 90709051
methyl 3-benzamido-3-oxopropanoate
CID 11345054
CID 6332799
CID 6332799
(2-benzamido-2-oxoethyl) 4-(2-ethoxyphenoxy)butanoate
CID 7147638
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-4,5-dibenzamidopent-4-enoate?
The IUPAC name of ethyl (E)-4,5-dibenzamidopent-4-enoate (CID 6377265) is ethyl (E)-4,5-dibenzamidopent-4-enoate.
What is the SMILES notation for ethyl (E)-4,5-dibenzamidopent-4-enoate?
The canonical SMILES for ethyl (E)-4,5-dibenzamidopent-4-enoate is CCOC(=O)CC/C(=C\NC(=O)c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (E)-4,5-dibenzamidopent-4-enoate?
The InChIKey is MENJFTDXBZFZAN-OBGWFSINSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-2-27-19(24)14-13-18(23-21(26)17-11-7-4-8-12-17)15-22-20(25)16-9-5-3-6-10-16/h3-12,15H,2,13-14H2,1H3,(H,22,25)(H,23,26)/b18-15+.
What are the key properties of ethyl (E)-4,5-dibenzamidopent-4-enoate?
ethyl (E)-4,5-dibenzamidopent-4-enoate has a molecular weight of 366.42 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-4,5-dibenzamidopent-4-enoate is sourced from PubChem (CID 6377265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).