N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide

C23H23NO4 — CID 98476168

IUPACN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)C3CCCCC3)cc2o1
InChIInChI=1S/C23H23NO4/c1-27-20-10-6-5-9-18(20)22-14-19(25)17-12-11-16(13-21(17)28-22)24-23(26)15-7-3-2-4-8-15/h5-6,9-15H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyHJGILYJMMYOOOH-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.99
Rot. Bonds4

About N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide

N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide (PubChem CID 98476168) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
PubChem CID98476168
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC NameN-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)C3CCCCC3)cc2o1
InChIInChI=1S/C23H23NO4/c1-27-20-10-6-5-9-18(20)22-14-19(25)17-12-11-16(13-21(17)28-22)24-23(26)15-7-3-2-4-8-15/h5-6,9-15H,2-4,7-8H2,1H3,(H,24,26)
InChIKeyHJGILYJMMYOOOH-UHFFFAOYSA-N
XLogP4.99
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]cyclopropanecarboxamide
CID 98476235
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568687
N-(4-oxo-2-phenylchromen-6-yl)cyclohexanecarboxamide
CID 18568668
N-dibenzofuran-3-ylcyclohexanecarboxamide
CID 2833464
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
N-[2-(3-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568688
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]propanamide
CID 98476866
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
N-[2-(2-ethoxyphenyl)-4-oxochromen-7-yl]-4-methoxybenzamide
CID 98476056
N-[4-(2-methoxyphenyl)-2-oxochromen-7-yl]acetamide
CID 167499224
N-[3-(cyclohexanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880083

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide (CID 98476168) is N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide is COc1ccccc1-c1cc(=O)c2ccc(NC(=O)C3CCCCC3)cc2o1.
What is the InChIKey of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide?
The InChIKey is HJGILYJMMYOOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO4/c1-27-20-10-6-5-9-18(20)22-14-19(25)17-12-11-16(13-21(17)28-22)24-23(26)15-7-3-2-4-8-15/h5-6,9-15H,2-4,7-8H2,1H3,(H,24,26).
What are the key properties of N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide?
N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)-4-oxochromen-7-yl]cyclohexanecarboxamide is sourced from PubChem (CID 98476168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).