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

C23H24N2O5 — CID 3171568

IUPAC2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H24N2O5/c1-27-16-9-10-21(28-2)19(13-16)25-23-18(12-15-6-3-4-8-20(15)30-23)22(26)24-14-17-7-5-11-29-17/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3,(H,24,26)/b25-23-
InChIKeyPHUJCGSXLAWCET-BZZOAKBMSA-N
MW408.45 g/mol
LogP3.59
Rot. Bonds6

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

2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (PubChem CID 3171568) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
PubChem CID3171568
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
SMILESCOc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)NCC2CCCO2)c1
InChIInChI=1S/C23H24N2O5/c1-27-16-9-10-21(28-2)19(13-16)25-23-18(12-15-6-3-4-8-20(15)30-23)22(26)24-14-17-7-5-11-29-17/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3,(H,24,26)/b25-23-
InChIKeyPHUJCGSXLAWCET-BZZOAKBMSA-N
XLogP3.59
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethoxyphenyl)imino-7-hydroxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 135496484
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1134964
6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171582
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
6-bromo-2-(2-ethoxyphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184777
6-bromo-2-(2-methylphenyl)imino-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184747
2-(3-chloro-2-methylphenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185082
2-(2-chloro-5-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185059
2-(3-fluoro-4-methoxyphenyl)imino-7-hydroxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 136777862
2-(3-chloro-2-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185062
2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
6-bromo-2-(2-chlorophenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184810

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide (CID 3171568) is 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
The InChIKey is PHUJCGSXLAWCET-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-27-16-9-10-21(28-2)19(13-16)25-23-18(12-15-6-3-4-8-20(15)30-23)22(26)24-14-17-7-5-11-29-17/h3-4,6,8-10,12-13,17H,5,7,11,14H2,1-2H3,(H,24,26)/b25-23-.
What are the key properties of 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide?
2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide has a molecular weight of 408.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide is sourced from PubChem (CID 3171568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).