2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide

C16H18N2O5 — CID 847605

IUPAC2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccoc2C)c(OC)c1OC
InChIInChI=1S/C16H18N2O5/c1-10-12(7-8-23-10)16(19)18-17-9-11-5-6-13(20-2)15(22-4)14(11)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyJZKTYQLOZWGQIB-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.38
Rot. Bonds6

About 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide (PubChem CID 847605) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
PubChem CID847605
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide
SMILESCOc1ccc(C=NNC(=O)c2ccoc2C)c(OC)c1OC
InChIInChI=1S/C16H18N2O5/c1-10-12(7-8-23-10)16(19)18-17-9-11-5-6-13(20-2)15(22-4)14(11)21-3/h5-9H,1-4H3,(H,18,19)
InChIKeyJZKTYQLOZWGQIB-UHFFFAOYSA-N
XLogP2.38
TPSA82.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
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-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 932462
N-[(2,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 760358
[2,6-dimethoxy-4-[(Z)-[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] acetate
CID 5412697
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136851848
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 761682
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
1-hydroxy-N-[(2,3,4-trimethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 3617184
N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 6894239
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
N-[(2,3-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760406
3-methyl-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]butanamide
CID 6008336
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide (CID 847605) is 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide is COc1ccc(C=NNC(=O)c2ccoc2C)c(OC)c1OC.
What is the InChIKey of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide?
The InChIKey is JZKTYQLOZWGQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-10-12(7-8-23-10)16(19)18-17-9-11-5-6-13(20-2)15(22-4)14(11)21-3/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 847605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).