N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide

C24H20N2O5 — CID 163122610

IUPACN-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide
SMILESCc1cc(NC(=O)c2ccc(C)c([NH+]([O-])O)c2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O5/c1-14-7-8-17(13-21(14)26(29)30)23(27)25-18-9-10-19(15(2)11-18)20-12-16-5-3-4-6-22(16)31-24(20)28/h3-13,26,29H,1-2H3,(H,25,27)
InChIKeyCAXAYUFUNHWATF-UHFFFAOYSA-N
MW416.43 g/mol
LogP3.73
Rot. Bonds4

About N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide

N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide (PubChem CID 163122610) has the molecular formula C24H20N2O5 and a molecular weight of 416.43 g/mol. Its IUPAC name is N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide
PubChem CID163122610
Molecular FormulaC24H20N2O5
Molecular Weight416.43 g/mol
Exact Mass416.14
IUPAC NameN-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide
SMILESCc1cc(NC(=O)c2ccc(C)c([NH+]([O-])O)c2)ccc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C24H20N2O5/c1-14-7-8-17(13-21(14)26(29)30)23(27)25-18-9-10-19(15(2)11-18)20-12-16-5-3-4-6-22(16)31-24(20)28/h3-13,26,29H,1-2H3,(H,25,27)
InChIKeyCAXAYUFUNHWATF-UHFFFAOYSA-N
XLogP3.73
TPSA107.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 53.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
N-(3-chloro-4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 5114053
2-methyl-N-[3-methyl-4-(2-oxochromen-3-yl)phenyl]-2-phenoxypropanamide
CID 30309342
3-methyl-4-nitro-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 23992064
3-[4-(ethylamino)-2-methylphenyl]chromen-2-one
CID 91688943
N-(4-methylphenyl)-3-(2-oxochromen-3-yl)benzamide
CID 4237295
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
4-[[3-(2-oxochromen-3-yl)benzoyl]amino]benzoic acid
CID 28675540
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3-(2-oxochromen-3-yl)benzamide
CID 3659488
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
4-(2-oxochromen-3-yl)-N-(2,4,6-trimethylphenyl)benzamide
CID 3893067

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide?
The IUPAC name of N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide (CID 163122610) is N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide.
What is the SMILES notation for N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide?
The canonical SMILES for N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide is Cc1cc(NC(=O)c2ccc(C)c([NH+]([O-])O)c2)ccc1-c1cc2ccccc2oc1=O.
What is the InChIKey of N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide?
The InChIKey is CAXAYUFUNHWATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O5/c1-14-7-8-17(13-21(14)26(29)30)23(27)25-18-9-10-19(15(2)11-18)20-12-16-5-3-4-6-22(16)31-24(20)28/h3-13,26,29H,1-2H3,(H,25,27).
What are the key properties of N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide?
N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide has a molecular weight of 416.43 g/mol, XLogP of 3.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-5-[[3-methyl-4-(2-oxochromen-3-yl)phenyl]carbamoyl]benzeneamine oxide is sourced from PubChem (CID 163122610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).