3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide

C16H21N3O2 — CID 63571014

IUPAC3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
SMILESCc1ccc(CN(C)Cc2cc(C)c(C(=O)NN)o2)cc1
InChIInChI=1S/C16H21N3O2/c1-11-4-6-13(7-5-11)9-19(3)10-14-8-12(2)15(21-14)16(20)18-17/h4-8H,9-10,17H2,1-3H3,(H,18,20)
InChIKeyPKVYZVQRIOFFDC-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds5

About 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide

3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide (PubChem CID 63571014) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
PubChem CID63571014
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide
SMILESCc1ccc(CN(C)Cc2cc(C)c(C(=O)NN)o2)cc1
InChIInChI=1S/C16H21N3O2/c1-11-4-6-13(7-5-11)9-19(3)10-14-8-12(2)15(21-14)16(20)18-17/h4-8H,9-10,17H2,1-3H3,(H,18,20)
InChIKeyPKVYZVQRIOFFDC-UHFFFAOYSA-N
XLogP2.13
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide?
The IUPAC name of 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide (CID 63571014) is 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide is Cc1ccc(CN(C)Cc2cc(C)c(C(=O)NN)o2)cc1.
What is the InChIKey of 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide?
The InChIKey is PKVYZVQRIOFFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-4-6-13(7-5-11)9-19(3)10-14-8-12(2)15(21-14)16(20)18-17/h4-8H,9-10,17H2,1-3H3,(H,18,20).
What are the key properties of 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide?
3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide has a molecular weight of 287.36 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63571014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).