(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid

C20H17NO3 — CID 155299093

IUPAC(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
SMILESO=C(C=Cc1ccccc1)N/C(=C\C=C\c1ccccc1)C(=O)O
InChIInChI=1S/C20H17NO3/c22-19(15-14-17-10-5-2-6-11-17)21-18(20(23)24)13-7-12-16-8-3-1-4-9-16/h1-15H,(H,21,22)(H,23,24)/b12-7+,15-14?,18-13-
InChIKeyMXZRKWWSGYCLIP-OZPOLZRMSA-N
MW319.36 g/mol
LogP3.50
Rot. Bonds6

About (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid

(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid (PubChem CID 155299093) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
PubChem CID155299093
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
SMILESO=C(C=Cc1ccccc1)N/C(=C\C=C\c1ccccc1)C(=O)O
InChIInChI=1S/C20H17NO3/c22-19(15-14-17-10-5-2-6-11-17)21-18(20(23)24)13-7-12-16-8-3-1-4-9-16/h1-15H,(H,21,22)(H,23,24)/b12-7+,15-14?,18-13-
InChIKeyMXZRKWWSGYCLIP-OZPOLZRMSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
CID 155299076
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
(2Z,4E)-N-(2-hydroxyethyl)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienamide
CID 155299089
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
2-[(5-bromofuran-2-carbonyl)amino]-5-phenylpenta-2,4-dienoic acid
CID 1293136
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(E)-N-(2-methoxyacetyl)-3-phenylprop-2-enamide
CID 70157750
2,2-dimethyl-N-[(E)-3-phenylprop-2-enoyl]propanamide
CID 102034049
3-oxo-N-[(E)-3-phenylprop-2-enoyl]butanamide
CID 12682099
3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
CID 57300906
(E)-N-chloro-3-phenylprop-2-enamide
CID 18537372

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid (CID 155299093) is (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid is O=C(C=Cc1ccccc1)N/C(=C\C=C\c1ccccc1)C(=O)O.
What is the InChIKey of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid?
The InChIKey is MXZRKWWSGYCLIP-OZPOLZRMSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19(15-14-17-10-5-2-6-11-17)21-18(20(23)24)13-7-12-16-8-3-1-4-9-16/h1-15H,(H,21,22)(H,23,24)/b12-7+,15-14?,18-13-.
What are the key properties of (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid?
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid has a molecular weight of 319.36 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid is sourced from PubChem (CID 155299093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).