2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide

C15H19N3O2 — CID 63573476

IUPAC2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
SMILESCc1ccc(CN(C)C(C(=O)NN)c2ccccc2)o1
InChIInChI=1S/C15H19N3O2/c1-11-8-9-13(20-11)10-18(2)14(15(19)17-16)12-6-4-3-5-7-12/h3-9,14H,10,16H2,1-2H3,(H,17,19)
InChIKeyUNKUJANPJHVWDH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.75
Rot. Bonds5

About 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide (PubChem CID 63573476) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide.

Molecular Properties

Compound Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
PubChem CID63573476
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide
SMILESCc1ccc(CN(C)C(C(=O)NN)c2ccccc2)o1
InChIInChI=1S/C15H19N3O2/c1-11-8-9-13(20-11)10-18(2)14(15(19)17-16)12-6-4-3-5-7-12/h3-9,14H,10,16H2,1-2H3,(H,17,19)
InChIKeyUNKUJANPJHVWDH-UHFFFAOYSA-N
XLogP1.75
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.75
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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Related Compounds

2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetic acid
CID 43526412
(2R)-N-(2,5-dimethylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 9103359
N-(3-acetylphenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 17453268
(2S)-N-(2-chloro-4-nitrophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetamide
CID 9103450
(3R)-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-3-phenylpropan-1-ol
CID 97159613
3-amino-1-methyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 115192836
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2-phenylphenyl)propanamide
CID 9102051
2-[methyl(3-methylbutyl)amino]-2-phenylacetohydrazide
CID 63578760
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-phenylpropan-1-ol
CID 62611936
(2R)-2-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylacetamide
CID 55081694
(2R)-N-(2-cyanophenyl)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]propanamide
CID 9102232
2-[methyl(2-propan-2-yloxyethyl)amino]-2-phenylacetohydrazide
CID 81068829

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide?
The IUPAC name of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide (CID 63573476) is 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide.
What is the SMILES notation for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide?
The canonical SMILES for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide is Cc1ccc(CN(C)C(C(=O)NN)c2ccccc2)o1.
What is the InChIKey of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide?
The InChIKey is UNKUJANPJHVWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-8-9-13(20-11)10-18(2)14(15(19)17-16)12-6-4-3-5-7-12/h3-9,14H,10,16H2,1-2H3,(H,17,19).
What are the key properties of 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide?
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide has a molecular weight of 273.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-phenylacetohydrazide is sourced from PubChem (CID 63573476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).