(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide

C20H20N2O2 — CID 51351606

IUPAC(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-11-,14-12+
InChIKeyKRKHZGROVOQDOS-HEEUSZRZSA-N
MW320.39 g/mol
LogP2.65
Rot. Bonds7

About (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide

(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide (PubChem CID 51351606) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
PubChem CID51351606
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide
SMILESO=C(/C=C\c1ccccc1)NCCNC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H20N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-11-,14-12+
InChIKeyKRKHZGROVOQDOS-HEEUSZRZSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(methylamino)ethyl]-3-phenylprop-2-enamide
CID 76948085
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]cyclopropanecarboxamide
CID 32968682
3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]propanamide
CID 108573771
(2S)-2-hydroxy-4-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 107833894
[(E)-3-phenylprop-2-enoyl]carbamic acid
CID 140993183
N-hydroxy-6-[[(Z)-3-phenylprop-2-enoyl]amino]hexanamide
CID 87214827
N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 4166232
(Z)-N-[3-(dimethylamino)propyl]-3-phenylprop-2-enamide
CID 98926306
3,4,5-trihydroxy-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571729
N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]pyridine-2-carboxamide
CID 108574860
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
3-chloro-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]benzamide
CID 108571411

Frequently Asked Questions

What is the IUPAC name of (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The IUPAC name of (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide (CID 51351606) is (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The canonical SMILES for (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide is O=C(/C=C\c1ccccc1)NCCNC(=O)/C=C/c1ccccc1.
What is the InChIKey of (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
The InChIKey is KRKHZGROVOQDOS-HEEUSZRZSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(13-11-17-7-3-1-4-8-17)21-15-16-22-20(24)14-12-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,21,23)(H,22,24)/b13-11-,14-12+.
What are the key properties of (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide?
(Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide has a molecular weight of 320.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-phenyl-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 51351606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).