5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide

C14H17N3O3 — CID 63584554

IUPAC5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
SMILESCOc1ccc(N(C)Cc2cc(C(=O)NN)co2)cc1
InChIInChI=1S/C14H17N3O3/c1-17(11-3-5-12(19-2)6-4-11)8-13-7-10(9-20-13)14(18)16-15/h3-7,9H,8,15H2,1-2H3,(H,16,18)
InChIKeyAJPHGKWKSJZRPU-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.53
Rot. Bonds5

About 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide

5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide (PubChem CID 63584554) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
PubChem CID63584554
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide
SMILESCOc1ccc(N(C)Cc2cc(C(=O)NN)co2)cc1
InChIInChI=1S/C14H17N3O3/c1-17(11-3-5-12(19-2)6-4-11)8-13-7-10(9-20-13)14(18)16-15/h3-7,9H,8,15H2,1-2H3,(H,16,18)
InChIKeyAJPHGKWKSJZRPU-UHFFFAOYSA-N
XLogP1.53
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-methoxyphenyl)sulfanylmethyl]furan-3-carbohydrazide
CID 63580433
4-methoxy-N-methyl-N-[[4-(propylaminomethyl)furan-2-yl]methyl]aniline
CID 62437153
5-[[methyl(2-methylsulfonylethyl)amino]methyl]furan-3-carbohydrazide
CID 79858792
5-[(3-cyano-5-methoxyphenoxy)methyl]furan-3-carbohydrazide
CID 103568335
5-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]furan-3-carbohydrazide
CID 103192024
5-(propan-2-yloxymethyl)furan-3-carbohydrazide
CID 63574391
4-[(4-methoxyphenyl)methyl-methylamino]benzoic acid
CID 39369991
N-cyclopropyl-2-[[4-(hydrazinecarbonyl)furan-2-yl]methyl-methylamino]acetamide
CID 63585140
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63574178
5-[(3-fluoro-4-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107171042
N-(furan-2-ylmethyl)-4-[1-(4-methoxyphenyl)ethenyl]-N-methylaniline
CID 54080971
1-[2-(4-methoxy-N-methylanilino)ethyl]triazole-4-carbohydrazide
CID 63584927

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide?
The IUPAC name of 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide (CID 63584554) is 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide?
The canonical SMILES for 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide is COc1ccc(N(C)Cc2cc(C(=O)NN)co2)cc1.
What is the InChIKey of 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide?
The InChIKey is AJPHGKWKSJZRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-17(11-3-5-12(19-2)6-4-11)8-13-7-10(9-20-13)14(18)16-15/h3-7,9H,8,15H2,1-2H3,(H,16,18).
What are the key properties of 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide?
5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide has a molecular weight of 275.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxy-N-methylanilino)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63584554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).