N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide

C18H15NO5 — CID 99797944

IUPACN-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3c(=O)o2)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-22-12-7-8-14(15(10-12)23-2)19-17(20)16-9-11-5-3-4-6-13(11)18(21)24-16/h3-10H,1-2H3,(H,19,20)
InChIKeyNZGSEGYQGHLUMG-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.06
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide

N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide (PubChem CID 99797944) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
PubChem CID99797944
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC NameN-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3ccccc3c(=O)o2)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-22-12-7-8-14(15(10-12)23-2)19-17(20)16-9-11-5-3-4-6-13(11)18(21)24-16/h3-10H,1-2H3,(H,19,20)
InChIKeyNZGSEGYQGHLUMG-UHFFFAOYSA-N
XLogP3.06
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(2-methylphenyl)-1-oxoisochromene-3-carboxamide
CID 175651899
4-bromo-N-(2,4-dimethoxyphenyl)-3-methoxynaphthalene-2-carboxamide
CID 2235743
6-methoxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1-oxoisochromene-3-carboxamide
CID 175652128
N-(2,4-dichlorophenyl)-1-oxoisochromene-3-carboxamide
CID 4905455
N-(2,4-dimethoxyphenyl)-2-methyl-1-benzofuran-3-carboxamide
CID 110703181
dimethyl 5-[(1-oxoisochromene-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1220137
N-(4-chloro-2-cyanophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651969
N-(3-bromophenyl)-6-methoxy-1-oxoisochromene-3-carboxamide
CID 175651972
N-(2-methyl-4-nitrophenyl)-1-oxoisochromene-3-carboxamide
CID 4903893
N-[2-methoxy-4-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-1-benzofuran-2-carboxamide
CID 1086001
N-cyclopropyl-6-methoxy-1-oxoisochromene-3-carboxamide
CID 172882109
2-chloro-N-(2,4-dimethoxyphenyl)benzamide
CID 722324

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide (CID 99797944) is N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide is COc1ccc(NC(=O)c2cc3ccccc3c(=O)o2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide?
The InChIKey is NZGSEGYQGHLUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-22-12-7-8-14(15(10-12)23-2)19-17(20)16-9-11-5-3-4-6-13(11)18(21)24-16/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide?
N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide has a molecular weight of 325.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-oxoisochromene-3-carboxamide is sourced from PubChem (CID 99797944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).