(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

C24H23N3O2 — CID 155297575

IUPAC(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESC=N/C=C\C=C(/C)NC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-19(10-9-17-25-2)26-24(29)22(18-21-13-7-4-8-14-21)27-23(28)16-15-20-11-5-3-6-12-20/h3-18H,2H2,1H3,(H,26,29)(H,27,28)/b16-15+,17-9-,19-10+,22-18-
InChIKeyNMFRLWXYIGFXFS-WHLNACEWSA-N
MW385.47 g/mol
LogP4.09
Rot. Bonds8

About (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide

(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (PubChem CID 155297575) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
PubChem CID155297575
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESC=N/C=C\C=C(/C)NC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C24H23N3O2/c1-19(10-9-17-25-2)26-24(29)22(18-21-13-7-4-8-14-21)27-23(28)16-15-20-11-5-3-6-12-20/h3-18H,2H2,1H3,(H,26,29)(H,27,28)/b16-15+,17-9-,19-10+,22-18-
InChIKeyNMFRLWXYIGFXFS-WHLNACEWSA-N
XLogP4.09
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
(2Z,4E)-N-methyl-5-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]penta-2,4-dienamide
CID 155299076
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
CID 155299093
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)-N-propylpenta-2,4-dienamide
CID 155277984
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948
(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide
CID 155277986
ethyl 4-[[(Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl]amino]benzoate
CID 2296419

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The IUPAC name of (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (CID 155297575) is (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The canonical SMILES for (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is C=N/C=C\C=C(/C)NC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The InChIKey is NMFRLWXYIGFXFS-WHLNACEWSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-19(10-9-17-25-2)26-24(29)22(18-21-13-7-4-8-14-21)27-23(28)16-15-20-11-5-3-6-12-20/h3-18H,2H2,1H3,(H,26,29)(H,27,28)/b16-15+,17-9-,19-10+,22-18-.
What are the key properties of (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
(Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide has a molecular weight of 385.47 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2E,4Z)-5-(methylideneamino)penta-2,4-dien-2-yl]-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is sourced from PubChem (CID 155297575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).