(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide

C19H16N4O4 — CID 175415710

IUPAC(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC(=O)/N=N/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C19H16N4O4/c1-27-13-6-4-5-12(11-13)9-10-16(24)21-19(26)23-22-17-14-7-2-3-8-15(14)20-18(17)25/h2-11,20,25H,1H3,(H,21,24,26)/b10-9+,23-22+
InChIKeyPFELWXCOMFTXQZ-OVEXIPILSA-N
MW364.36 g/mol
LogP3.92
Rot. Bonds4

About (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 175415710) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID175415710
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NC(=O)/N=N/c2c(O)[nH]c3ccccc23)c1
InChIInChI=1S/C19H16N4O4/c1-27-13-6-4-5-12(11-13)9-10-16(24)21-19(26)23-22-17-14-7-2-3-8-15(14)20-18(17)25/h2-11,20,25H,1H3,(H,21,24,26)/b10-9+,23-22+
InChIKeyPFELWXCOMFTXQZ-OVEXIPILSA-N
XLogP3.92
TPSA116.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-[(2-hydroxy-1H-indol-3-yl)iminocarbamoylamino]-3-oxoprop-1-enyl] acetate
CID 175905755
4-[(2-hydroxy-1H-indol-3-yl)diazenyl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 135921976
(E)-3-(3-methoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]prop-2-enamide
CID 82723936
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
N-[(2-hydroxy-1H-indol-3-yl)imino]-3-methylbenzamide
CID 749780
N-[1-(3,4-dimethoxyphenyl)-3-[(2-hydroxy-1H-indol-3-yl)diazenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 3093261
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
2-ethoxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 135802167
(2S)-N-[(2-hydroxy-1H-indol-3-yl)imino]-2-phenoxypropanamide
CID 766456
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-N-(8-ethyl-9H-carbazol-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397395
1-(2-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 85442663

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 175415710) is (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NC(=O)/N=N/c2c(O)[nH]c3ccccc23)c1.
What is the InChIKey of (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is PFELWXCOMFTXQZ-OVEXIPILSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-27-13-6-4-5-12(11-13)9-10-16(24)21-19(26)23-22-17-14-7-2-3-8-15(14)20-18(17)25/h2-11,20,25H,1H3,(H,21,24,26)/b10-9+,23-22+.
What are the key properties of (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 364.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2-hydroxy-1H-indol-3-yl)iminocarbamoyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 175415710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).