N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide

C18H16N2O3 — CID 150819982

IUPACN-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17-
InChIKeyKJSIIAIZHJYKDK-ZPHPHTNESA-N
MW308.34 g/mol
LogP3.43
Rot. Bonds3

About N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide

N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide (PubChem CID 150819982) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide
PubChem CID150819982
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1cccc(CC)c1
InChIInChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17-
InChIKeyKJSIIAIZHJYKDK-ZPHPHTNESA-N
XLogP3.43
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-hexyl-2-hydroxyphenoxy)phenyl]acetamide
CID 44450061
2-imino-N-(4-methylphenyl)-2H-chromene-3-carboxamide
CID 703676
2-imino-N-phenyl-2H-chromene-3-carboxamide
CID 739354
Akr1C3-IN-12
CID 19573880
8-methoxy-2-oxo-N-phenyl-2H-chromene-3-carboxamide
CID 754821
2-imino-6-methoxy-N-(4-methylphenyl)chromene-3-carboxamide
CID 747667
N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide
CID 839714
8-methoxy-N-(4-methoxyphenyl)-2H-chromene-3-carboxamide
CID 2725930
2-imino-6-methoxy-N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 3516854
N-(3-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 3938413
N-(4-fluorophenyl)-2-imino-2H-chromene-3-carboxamide
CID 4270012
2-Hydroxyimino-8-methoxy-2H-chromene-3-carboxylic acid o-tolylamide
CID 9595134

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
The IUPAC name of N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide (CID 150819982) is N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide is [H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1cccc(CC)c1.
What is the InChIKey of N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
The InChIKey is KJSIIAIZHJYKDK-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17-.
What are the key properties of N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide?
N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-8-hydroxy-2-iminochromene-3-carboxamide is sourced from PubChem (CID 150819982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).