2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

C19H17NO3 — CID 135411297

IUPAC2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESCCOc1ccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO3/c1-3-23-14-10-8-13(9-11-14)20-12(2)17-18(21)15-6-4-5-7-16(15)19(17)22/h4-11,21H,3H2,1-2H3/b20-12+
InChIKeyBFADEVVRIHTTJH-UDWIEESQSA-N
MW307.35 g/mol
LogP4.34
Rot. Bonds4

About 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one

2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (PubChem CID 135411297) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
PubChem CID135411297
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
SMILESCCOc1ccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H17NO3/c1-3-23-14-10-8-13(9-11-14)20-12(2)17-18(21)15-6-4-5-7-16(15)19(17)22/h4-11,21H,3H2,1-2H3/b20-12+
InChIKeyBFADEVVRIHTTJH-UDWIEESQSA-N
XLogP4.34
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-(4-Methoxyphenyl)-3h-Indol-3-One
CID 86288912
6-(4-Methoxyphenyl)imino-2,2-dimethyl-3,4-dihydrobenzo[h]chromen-5-one
CID 396838
5-Methoxy-2-phenyl-indol-3-one
CID 86288911
2-[1-(4-Methoxyphenyl)iminoethyl]indene-1,3-dione
CID 335122
2-(4-Isopropoxyphenyl)-5-methoxy-indol-3-one
CID 86288928
2-{1-[(4-methoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135401494
1H-Indene-1,3(2H)-dione, 2-[[(4-methoxyphenyl)amino]methylene]-
CID 135433820
2-{1-[(2,4-dimethoxyphenyl)amino]ethylidene}-1H-indene-1,3(2H)-dione
CID 135441618
2-(4-Hydroxyphenyl)-5-methoxy-indol-3-one
CID 136335015
2-[N-(2-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxy-5-phenylcyclohex-2-en-1-one
CID 155528926
4-Methoxy-N-((5-phenyl-2-furyl)methylene)aniline
CID 681807
2-{5-[(4-(ethoxycarbonyl)-5-(4-methoxyanilino)-3-oxo-2(3H)-thienylidene)methyl]-2-furyl}benzoic acid
CID 135467518

Frequently Asked Questions

What is the IUPAC name of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one (CID 135411297) is 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is CCOc1ccc(/N=C(\C)C2=C(O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
The InChIKey is BFADEVVRIHTTJH-UDWIEESQSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-23-14-10-8-13(9-11-14)20-12(2)17-18(21)15-6-4-5-7-16(15)19(17)22/h4-11,21H,3H2,1-2H3/b20-12+.
What are the key properties of 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one?
2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one has a molecular weight of 307.35 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(4-ethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135411297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).