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

C22H24N2O2 — CID 155297574

IUPAC(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESCCC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-17(2)23-22(26)20(16-19-12-8-5-9-13-19)24-21(25)15-14-18-10-6-4-7-11-18/h4-17H,3H2,1-2H3,(H,23,26)(H,24,25)/b15-14+,20-16-
InChIKeySYTCYOCBOGXYIN-WOIMTHDUSA-N
MW348.45 g/mol
LogP3.77
Rot. Bonds7

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

(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (PubChem CID 155297574) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
PubChem CID155297574
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide
SMILESCCC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C22H24N2O2/c1-3-17(2)23-22(26)20(16-19-12-8-5-9-13-19)24-21(25)15-14-18-10-6-4-7-11-18/h4-17H,3H2,1-2H3,(H,23,26)(H,24,25)/b15-14+,20-16-
InChIKeySYTCYOCBOGXYIN-WOIMTHDUSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.77
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

2-acetamido-N-butan-2-yl-3-phenylprop-2-enamide
CID 5008732
(Z)-3-phenyl-2-[[(Z)-3-phenylprop-2-enoyl]amino]prop-2-enoic acid
CID 92899678
3-methyl-2-(3-phenylprop-2-enoylamino)pentanoic acid
CID 74556730
(Z)-N-butan-2-yl-2-fluoro-3-phenylprop-2-enamide
CID 155664674
(Z)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-phenyl-N-propylprop-2-enamide
CID 155278061
3-[[(E)-3-phenylprop-2-enoyl]amino]butanoic acid
CID 43092435
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
(Z)-3-[4-(dimethylamino)phenyl]-2-(3-phenylprop-2-enoylamino)-N-propylprop-2-enamide
CID 155277948
(E)-N-[(Z)-3-oxo-1-phenyl-3-pyrrolidin-1-ylprop-1-en-2-yl]-3-phenylprop-2-enamide
CID 155278050
ethyl 4-[[3-phenyl-2-(3-phenylprop-2-enoylamino)prop-2-enoyl]amino]benzoate
CID 1327921
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-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The IUPAC name of (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide (CID 155297574) is (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide.
What is the SMILES notation for (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The canonical SMILES for (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is CCC(C)NC(=O)/C(=C/c1ccccc1)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
The InChIKey is SYTCYOCBOGXYIN-WOIMTHDUSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-17(2)23-22(26)20(16-19-12-8-5-9-13-19)24-21(25)15-14-18-10-6-4-7-11-18/h4-17H,3H2,1-2H3,(H,23,26)(H,24,25)/b15-14+,20-16-.
What are the key properties of (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide?
(Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide has a molecular weight of 348.45 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butan-2-yl-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enamide is sourced from PubChem (CID 155297574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).