N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

C19H18N2O5 — CID 175009758

IUPACN-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2oc3cccc(O)c3c2C)cc1OC
InChIInChI=1S/C19H18N2O5/c1-11-17-13(22)5-4-6-15(17)26-18(11)19(23)21-20-10-12-7-8-14(24-2)16(9-12)25-3/h4-10,22H,1-3H3,(H,21,23)
InChIKeyIFJHLHAEOWSBKG-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.23
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide

N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 175009758) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID175009758
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC NameN-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2oc3cccc(O)c3c2C)cc1OC
InChIInChI=1S/C19H18N2O5/c1-11-17-13(22)5-4-6-15(17)26-18(11)19(23)21-20-10-12-7-8-14(24-2)16(9-12)25-3/h4-10,22H,1-3H3,(H,21,23)
InChIKeyIFJHLHAEOWSBKG-UHFFFAOYSA-N
XLogP3.23
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[(3-fluorophenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175012801
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 6882841
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 689512
1-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-[(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5355980
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464323
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N-[(E)-[3-[(E)-[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 46804116
5-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-hydroxybenzamide
CID 5057069
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464476

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide (CID 175009758) is N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(C=NNC(=O)c2oc3cccc(O)c3c2C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is IFJHLHAEOWSBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-17-13(22)5-4-6-15(17)26-18(11)19(23)21-20-10-12-7-8-14(24-2)16(9-12)25-3/h4-10,22H,1-3H3,(H,21,23).
What are the key properties of N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 175009758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).