N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide

C24H22N2O4 — CID 135631791

IUPACN-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide
SMILESCC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H22N2O4/c1-15(2)16-5-3-6-18(11-16)26-24-21(23(28)25-14-20-7-4-10-29-20)12-17-8-9-19(27)13-22(17)30-24/h3-13,15,27H,14H2,1-2H3,(H,25,28)/b26-24-
InChIKeyJTGFGZDYXGTPCT-LCUIJRPUSA-N
MW402.45 g/mol
LogP5.02
Rot. Bonds5

About N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide

N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide (PubChem CID 135631791) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide
PubChem CID135631791
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC NameN-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide
SMILESCC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1
InChIInChI=1S/C24H22N2O4/c1-15(2)16-5-3-6-18(11-16)26-24-21(23(28)25-14-20-7-4-10-29-20)12-17-8-9-19(27)13-22(17)30-24/h3-13,15,27H,14H2,1-2H3,(H,25,28)/b26-24-
InChIKeyJTGFGZDYXGTPCT-LCUIJRPUSA-N
XLogP5.02
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethylphenyl)imino-N-(furan-2-ylmethyl)-7-hydroxychromene-3-carboxamide
CID 135531856
2-(2,5-dimethylphenyl)imino-N-(furan-2-ylmethyl)-7-hydroxychromene-3-carboxamide
CID 135631792
2-(3-ethylphenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367519
2-(3-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367537
N-(furan-2-ylmethyl)-7-hydroxy-2-iminochromene-3-carboxamide
CID 135630907
2-(4-fluorophenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367538
2-(2,3-dimethylphenyl)imino-N-(furan-2-ylmethyl)chromene-3-carboxamide
CID 51367522
7-hydroxy-2-(3-methylphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 135631588
2-amino-N-(furan-2-ylmethyl)-5-hydroxybenzamide
CID 107073676
7-hydroxy-2-(3-methylsulfanylphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777779
2-(3-fluorophenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631749
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide (CID 135631791) is N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide is CC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide?
The InChIKey is JTGFGZDYXGTPCT-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-15(2)16-5-3-6-18(11-16)26-24-21(23(28)25-14-20-7-4-10-29-20)12-17-8-9-19(27)13-22(17)30-24/h3-13,15,27H,14H2,1-2H3,(H,25,28)/b26-24-.
What are the key properties of N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide?
N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-7-hydroxy-2-(3-propan-2-ylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 135631791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).