N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

C19H17NO4 — CID 16896367

IUPACN-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc12
InChIInChI=1S/C19H17NO4/c1-11-7-8-12(2)15(9-11)20-18(21)14-10-13-5-4-6-16(23-3)17(13)24-19(14)22/h4-10H,1-3H3,(H,20,21)
InChIKeyHDQRJSWOLAQGIB-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.67
Rot. Bonds3

About N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide

N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 16896367) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID16896367
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC NameN-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc12
InChIInChI=1S/C19H17NO4/c1-11-7-8-12(2)15(9-11)20-18(21)14-10-13-5-4-6-16(23-3)17(13)24-19(14)22/h4-10H,1-3H3,(H,20,21)
InChIKeyHDQRJSWOLAQGIB-UHFFFAOYSA-N
XLogP3.67
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 9264254
N-(2-fluorophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 749756
N-(2-ethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 708002
2-hydroxy-3-[(8-methoxy-2-oxochromene-3-carbonyl)amino]benzoic acid
CID 66485426
8-methoxy-2-oxo-N-[2-(trifluoromethyl)phenyl]chromene-3-carboxamide
CID 1307889
N-(2-cyanophenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 17087466
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 10578108
N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
CID 19573907
(2S)-2-[(8-methoxy-2-oxochromene-3-carbonyl)amino]propanoic acid
CID 10493768
N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4875619

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide (CID 16896367) is N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)Nc3cc(C)ccc3C)c(=O)oc12.
What is the InChIKey of N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is HDQRJSWOLAQGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-11-7-8-12(2)15(9-11)20-18(21)14-10-13-5-4-6-16(23-3)17(13)24-19(14)22/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide?
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 16896367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).