N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

C26H23N3O2 — CID 19059519

IUPACN-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
SMILESO=C(NCCc1ccccc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C26H23N3O2/c30-25(20-11-5-2-6-12-20)29-24(17-21-18-28-23-14-8-7-13-22(21)23)26(31)27-16-15-19-9-3-1-4-10-19/h1-14,17-18,28H,15-16H2,(H,27,31)(H,29,30)/b24-17-
InChIKeyCOHGHUIEDBNTMZ-ULJHMMPZSA-N
MW409.49 g/mol
LogP4.30
Rot. Bonds7

About N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide

N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide (PubChem CID 19059519) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
PubChem CID19059519
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC NameN-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
SMILESO=C(NCCc1ccccc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C26H23N3O2/c30-25(20-11-5-2-6-12-20)29-24(17-21-18-28-23-14-8-7-13-22(21)23)26(31)27-16-15-19-9-3-1-4-10-19/h1-14,17-18,28H,15-16H2,(H,27,31)(H,29,30)/b24-17-
InChIKeyCOHGHUIEDBNTMZ-ULJHMMPZSA-N
XLogP4.30
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
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CID 19059503
N-[(E)-1-(1H-indol-3-yl)-3-oxo-3-[(3,4,5-trimethoxyphenyl)methylamino]prop-1-en-2-yl]benzamide
CID 124658230
N-[1-(4-fluorophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 3760760
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
2-[[(E)-3-(1H-indol-3-yl)-2-[(4-methoxybenzoyl)amino]prop-2-enoyl]amino]acetic acid
CID 171983393
N-[(Z)-3-[2-(1H-indol-3-yl)ethylamino]-3-oxo-1-pyridin-4-ylprop-1-en-2-yl]benzamide
CID 6534054
[(E)-1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853578
[1-(1H-indol-3-yl)-3-oxo-3-(2-pyridin-2-ylethylamino)prop-1-en-2-yl]carbamic acid
CID 67853573
N-[3-[2-(1H-indol-3-yl)ethylamino]-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3844321
N-[3-[2-(1H-indol-3-yl)ethylamino]-1-(4-methylsulfanylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2875968
N-[3-[2-(1H-indol-3-yl)ethylamino]-1-(4-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 2875965

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide (CID 19059519) is N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is O=C(NCCc1ccccc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide?
The InChIKey is COHGHUIEDBNTMZ-ULJHMMPZSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-25(20-11-5-2-6-12-20)29-24(17-21-18-28-23-14-8-7-13-22(21)23)26(31)27-16-15-19-9-3-1-4-10-19/h1-14,17-18,28H,15-16H2,(H,27,31)(H,29,30)/b24-17-.
What are the key properties of N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide?
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide is sourced from PubChem (CID 19059519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).