2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

C22H22N2O4 — CID 1134964

IUPAC2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C22H22N2O4/c1-26-17-8-4-7-16(13-17)24-22-19(12-15-6-2-3-10-20(15)28-22)21(25)23-14-18-9-5-11-27-18/h2-4,6-8,10,12-13,18H,5,9,11,14H2,1H3,(H,23,25)/b24-22-/t18-/m0/s1
InChIKeyMXJAWLGSASZGND-LWVPEANGSA-N
MW378.43 g/mol
LogP3.58
Rot. Bonds5

About 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide

2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (PubChem CID 1134964) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
PubChem CID1134964
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@@H]2CCCO2)c1
InChIInChI=1S/C22H22N2O4/c1-26-17-8-4-7-16(13-17)24-22-19(12-15-6-2-3-10-20(15)28-22)21(25)23-14-18-9-5-11-27-18/h2-4,6-8,10,12-13,18H,5,9,11,14H2,1H3,(H,23,25)/b24-22-/t18-/m0/s1
InChIKeyMXJAWLGSASZGND-LWVPEANGSA-N
XLogP3.58
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171568
8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]iminochromene-3-carboxamide
CID 95185070
6-chloro-2-(4-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95184892
2-(3-fluorophenyl)imino-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 95185039
7-hydroxy-N-(oxolan-2-ylmethyl)-2-phenyliminochromene-3-carboxamide
CID 135631732
6-bromo-2-(3-methylphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51366891
2-(4-fluorophenyl)imino-8-methoxy-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 1135040
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-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51367191
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
6-chloro-2-(2,4-dimethoxyphenyl)imino-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 3171582

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide (CID 1134964) is 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is COc1cccc(/N=c2\oc3ccccc3cc2C(=O)NC[C@@H]2CCCO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
The InChIKey is MXJAWLGSASZGND-LWVPEANGSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-17-8-4-7-16(13-17)24-22-19(12-15-6-2-3-10-20(15)28-22)21(25)23-14-18-9-5-11-27-18/h2-4,6-8,10,12-13,18H,5,9,11,14H2,1H3,(H,23,25)/b24-22-/t18-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide?
2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)imino-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide is sourced from PubChem (CID 1134964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).