2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

C23H24N2O6 — CID 135496484

IUPAC2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H24N2O6/c1-28-16-7-8-20(29-2)19(12-16)25-23-18(22(27)24-13-17-4-3-9-30-17)10-14-5-6-15(26)11-21(14)31-23/h5-8,10-12,17,26H,3-4,9,13H2,1-2H3,(H,24,27)/b25-23-
InChIKeyPZSPKPANSFHPDA-BZZOAKBMSA-N
MW424.45 g/mol
LogP3.30
Rot. Bonds6

About 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide

2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 135496484) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID135496484
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H24N2O6/c1-28-16-7-8-20(29-2)19(12-16)25-23-18(22(27)24-13-17-4-3-9-30-17)10-14-5-6-15(26)11-21(14)31-23/h5-8,10-12,17,26H,3-4,9,13H2,1-2H3,(H,24,27)/b25-23-
InChIKeyPZSPKPANSFHPDA-BZZOAKBMSA-N
XLogP3.30
TPSA102.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171568
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171582
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
CID 135631732
7-hydroxy-2-(4-methylsulfanylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135631778
2-(3,5-difluorophenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777806
7-hydroxy-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 5413280
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
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
7-hydroxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide
CID 136777825

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 135496484) is 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is COc1ccc(OC)c(/N=c2\oc3cc(O)ccc3cc2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is PZSPKPANSFHPDA-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-28-16-7-8-20(29-2)19(12-16)25-23-18(22(27)24-13-17-4-3-9-30-17)10-14-5-6-15(26)11-21(14)31-23/h5-8,10-12,17,26H,3-4,9,13H2,1-2H3,(H,24,27)/b25-23-.
What are the key properties of 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 135496484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).