4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene

C20H22N2O3 — CID 174961315

IUPAC4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene
SMILESC=NNC(=O)c1ccc2occ(C)c2c1O.Cc1cc(C)cc(C)c1
InChIInChI=1S/C11H10N2O3.C9H12/c1-6-5-16-8-4-3-7(10(14)9(6)8)11(15)13-12-2;1-7-4-8(2)6-9(3)5-7/h3-5,14H,2H2,1H3,(H,13,15);4-6H,1-3H3
InChIKeyZKUHBAGNVVBPBH-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.40
Rot. Bonds2

About 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene

4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene (PubChem CID 174961315) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene
PubChem CID174961315
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene
SMILESC=NNC(=O)c1ccc2occ(C)c2c1O.Cc1cc(C)cc(C)c1
InChIInChI=1S/C11H10N2O3.C9H12/c1-6-5-16-8-4-3-7(10(14)9(6)8)11(15)13-12-2;1-7-4-8(2)6-9(3)5-7/h3-5,14H,2H2,1H3,(H,13,15);4-6H,1-3H3
InChIKeyZKUHBAGNVVBPBH-UHFFFAOYSA-N
XLogP4.40
TPSA74.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-5-carboxamide
CID 141480486
(E)-3-(4-chlorophenyl)-1-(4-hydroxy-3-methyl-1-benzofuran-5-yl)prop-2-en-1-one
CID 141465563
(E)-1-(4-hydroxy-3-methyl-1-benzofuran-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 141465556
3,8-dimethyl-[1]benzofuro[5,4-e][1]benzofuran
CID 119026131
2,4-dimethyl-N-(pentan-3-ylideneamino)benzamide
CID 5131635
4-amino-3-methyl-1-benzofuran-5-ol
CID 82415187
9-methyl-3-propanoylfuro[2,3-h]chromen-2-one
CID 141465126
(3,5-dimethyl-1-benzofuran-4-yl) acetate
CID 121007972
1-(4-hydroxy-3-phenyl-1-benzofuran-5-yl)ethanone
CID 16751592
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
2,4-dichloro-N'-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18871928
2-(4,6-dimethyl-1-benzofuran-3-yl)-N-(2,4-dimethylphenyl)acetamide
CID 5118725

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene?
The IUPAC name of 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene (CID 174961315) is 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene.
What is the SMILES notation for 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene?
The canonical SMILES for 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene is C=NNC(=O)c1ccc2occ(C)c2c1O.Cc1cc(C)cc(C)c1.
What is the InChIKey of 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene?
The InChIKey is ZKUHBAGNVVBPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3.C9H12/c1-6-5-16-8-4-3-7(10(14)9(6)8)11(15)13-12-2;1-7-4-8(2)6-9(3)5-7/h3-5,14H,2H2,1H3,(H,13,15);4-6H,1-3H3.
What are the key properties of 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene?
4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene has a molecular weight of 338.41 g/mol, XLogP of 4.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-N-(methylideneamino)-1-benzofuran-5-carboxamide;1,3,5-trimethylbenzene is sourced from PubChem (CID 174961315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).