(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid

C18H15NO3 — CID 92899678

IUPAC(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
SMILESO=C(/C=C\c1ccccc1)N/C(=C\c1ccccc1)C(=O)O
InChIInChI=1S/C18H15NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-13H,(H,19,20)(H,21,22)/b12-11-,16-13-
InChIKeyXBQHJGSINOCXKC-BBZKIXJBSA-N
MW293.32 g/mol
LogP2.94
Rot. Bonds5

About (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid

(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid (PubChem CID 92899678) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
PubChem CID92899678
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
SMILESO=C(/C=C\c1ccccc1)N/C(=C\c1ccccc1)C(=O)O
InChIInChI=1S/C18H15NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-13H,(H,19,20)(H,21,22)/b12-11-,16-13-
InChIKeyXBQHJGSINOCXKC-BBZKIXJBSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-5-phenyl-2-(3-phenylprop-2-enoylamino)penta-2,4-dienoic acid
CID 155299093
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
CID 155297574
(E)-N-[(E)-3-oxo-1-phenyl-3-piperidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 2295931
(E)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
CID 6390927
(Z)-2-[(2-aminoacetyl)amino]-3-phenylprop-2-enoic acid
CID 6249815
(Z)-N-(1-adamantyl)-3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enamide
CID 155277986
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
CID 51351606
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
furan-2-ylmethyl (Z)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoate
CID 45069052
tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid?
The IUPAC name of (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid (CID 92899678) is (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid?
The canonical SMILES for (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid is O=C(/C=C\c1ccccc1)N/C(=C\c1ccccc1)C(=O)O.
What is the InChIKey of (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid?
The InChIKey is XBQHJGSINOCXKC-BBZKIXJBSA-N. The full InChI is InChI=1S/C18H15NO3/c20-17(12-11-14-7-3-1-4-8-14)19-16(18(21)22)13-15-9-5-2-6-10-15/h1-13H,(H,19,20)(H,21,22)/b12-11-,16-13-.
What are the key properties of (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid?
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid has a molecular weight of 293.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid is sourced from PubChem (CID 92899678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).