N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine

C21H19NO4 — CID 927515

IUPACN-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine
SMILESCCc1cc2c(=NO)c(-c3cc4ccccc4o3)c(C)oc2cc1OC
InChIInChI=1S/C21H19NO4/c1-4-13-9-15-18(11-17(13)24-3)25-12(2)20(21(15)22-23)19-10-14-7-5-6-8-16(14)26-19/h5-11,23H,4H2,1-3H3
InChIKeyILZZJRRVENDLFB-UHFFFAOYSA-N
MW349.39 g/mol
LogP5.02
Rot. Bonds3

About N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine

N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine (PubChem CID 927515) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine
PubChem CID927515
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine
SMILESCCc1cc2c(=NO)c(-c3cc4ccccc4o3)c(C)oc2cc1OC
InChIInChI=1S/C21H19NO4/c1-4-13-9-15-18(11-17(13)24-3)25-12(2)20(21(15)22-23)19-10-14-7-5-6-8-16(14)26-19/h5-11,23H,4H2,1-3H3
InChIKeyILZZJRRVENDLFB-UHFFFAOYSA-N
XLogP5.02
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.39
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzofuran-2-yl)-7-methoxy-2-methyl-6-propylchromen-4-one
CID 740768
[4-(1-benzofuran-2-yl)-7-methoxyisoquinolin-6-yl]methanol
CID 122457435
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281
2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 71394280
N-(3-benzyl-4-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 24571213
[6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-7-yl] acetate
CID 3092570
ethyl 2-[6-ethyl-3-(4-methoxyphenyl)-2-methyl-4-oxochromen-7-yl]oxyacetate
CID 1323662
3-(1-benzofuran-2-yl)-2-methylpyran-4-one
CID 102159675
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
(E)-4-(6-ethyl-7-methoxy-4-oxochromen-2-yl)but-3-enoic acid
CID 170614114
5-methoxy-2-(2-methoxynaphthalen-1-yl)chromen-4-one
CID 142743418
5-(1-benzofuran-2-yl)-2-ethyl-4-methoxy-1H-imidazole
CID 154283969

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine?
The IUPAC name of N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine (CID 927515) is N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine.
What is the SMILES notation for N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine?
The canonical SMILES for N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine is CCc1cc2c(=NO)c(-c3cc4ccccc4o3)c(C)oc2cc1OC.
What is the InChIKey of N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine?
The InChIKey is ILZZJRRVENDLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-4-13-9-15-18(11-17(13)24-3)25-12(2)20(21(15)22-23)19-10-14-7-5-6-8-16(14)26-19/h5-11,23H,4H2,1-3H3.
What are the key properties of N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine?
N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine has a molecular weight of 349.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzofuran-2-yl)-6-ethyl-7-methoxy-2-methylchromen-4-ylidene]hydroxylamine is sourced from PubChem (CID 927515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).