8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide

C19H24N2O6 — CID 2146237

IUPAC8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12
InChIInChI=1S/C19H24N2O6/c1-18(2,3)10-19(4,5)20-16(22)13-8-11-7-12(21(24)25)9-14(26-6)15(11)27-17(13)23/h7-9H,10H2,1-6H3,(H,20,22)
InChIKeyJLHSTYUEACNVRA-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.65
Rot. Bonds5

About 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide

8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide (PubChem CID 2146237) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
PubChem CID2146237
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12
InChIInChI=1S/C19H24N2O6/c1-18(2,3)10-19(4,5)20-16(22)13-8-11-7-12(21(24)25)9-14(26-6)15(11)27-17(13)23/h7-9H,10H2,1-6H3,(H,20,22)
InChIKeyJLHSTYUEACNVRA-UHFFFAOYSA-N
XLogP3.65
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 8-methoxy-6-nitro-2-oxochromene-3-carboxylate
CID 166609293
8-methoxy-N-[(1S,2R)-2-methylcyclohexyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1244415
N-[2-(1-adamantyloxy)ethyl]-8-methoxy-6-nitro-2-oxochromene-3-carboxamide
CID 4917975
8-methoxy-3-(8-methoxy-6-nitro-2-oxochromen-3-yl)sulfonyl-6-nitrochromen-2-one
CID 11699038
8-ethoxy-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide
CID 25252554
4-bromo-2-methoxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 115369210
N-(1,3-dichloro-2-methylpropan-2-yl)-2-methoxy-4-nitrobenzamide
CID 104784855
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1259055
N-[(E)-(2,5-dimethylfuran-3-yl)methylideneamino]-7-methoxy-5-nitro-1-benzofuran-2-carboxamide
CID 21374231
2-hydroxy-3-nitro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 20715419
6-bromo-3-(6-bromo-8-methoxy-2-oxochromene-3-carbonyl)-8-methoxychromen-2-one
CID 12002444
2-iodo-N-(1-methoxy-2-methylpropan-2-yl)-5-nitrobenzamide
CID 115606610

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
The IUPAC name of 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide (CID 2146237) is 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide.
What is the SMILES notation for 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
The canonical SMILES for 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide is COc1cc([N+](=O)[O-])cc2cc(C(=O)NC(C)(C)CC(C)(C)C)c(=O)oc12.
What is the InChIKey of 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
The InChIKey is JLHSTYUEACNVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-18(2,3)10-19(4,5)20-16(22)13-8-11-7-12(21(24)25)9-14(26-6)15(11)27-17(13)23/h7-9H,10H2,1-6H3,(H,20,22).
What are the key properties of 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide?
8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6-nitro-2-oxo-N-(2,4,4-trimethylpentan-2-yl)chromene-3-carboxamide is sourced from PubChem (CID 2146237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).