N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide

C13H14N2O2 — CID 11994827

IUPACN-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide
SMILESCc1ccc(/N=C(/c2ccco2)N(C)O)cc1
InChIInChI=1S/C13H14N2O2/c1-10-5-7-11(8-6-10)14-13(15(2)16)12-4-3-9-17-12/h3-9,16H,1-2H3/b14-13-
InChIKeyNBZKFVBXPFOPJC-YPKPFQOOSA-N
MW230.27 g/mol
LogP2.99
Rot. Bonds2

About N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide

N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide (PubChem CID 11994827) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide
PubChem CID11994827
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide
SMILESCc1ccc(/N=C(/c2ccco2)N(C)O)cc1
InChIInChI=1S/C13H14N2O2/c1-10-5-7-11(8-6-10)14-13(15(2)16)12-4-3-9-17-12/h3-9,16H,1-2H3/b14-13-
InChIKeyNBZKFVBXPFOPJC-YPKPFQOOSA-N
XLogP2.99
TPSA48.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[C-(furan-2-yl)-N-(4-methylphenyl)carbonimidoyl]-1-benzofuran-3-ol
CID 138965195
O-(4-methylphenyl) furan-2-carbothioate
CID 100928361
(Z)-1-(furan-2-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 92909359
N-methyl-N'-(4-methylphenyl)-N-phenylethanimidamide
CID 71332209
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
methyl (2E)-N-hydroxyfuran-2-carboximidothioate
CID 119098066
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
CID 43413085
N-[2-[[N,N'-dimethyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111289097
2-(4-methylphenyl)guanidine;hydrochloride
CID 3028500
azane;2-(4-methylphenyl)guanidine
CID 172751004
N-[4-[methyl-[1-(4-methylphenyl)ethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 134054275
methyl (2E)-N-(4,6-dimethyl-2-pyridinyl)furan-2-carboximidothioate
CID 10776832

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide?
The IUPAC name of N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide (CID 11994827) is N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide.
What is the SMILES notation for N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide?
The canonical SMILES for N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide is Cc1ccc(/N=C(/c2ccco2)N(C)O)cc1.
What is the InChIKey of N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide?
The InChIKey is NBZKFVBXPFOPJC-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10-5-7-11(8-6-10)14-13(15(2)16)12-4-3-9-17-12/h3-9,16H,1-2H3/b14-13-.
What are the key properties of N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide?
N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide has a molecular weight of 230.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-methyl-N'-(4-methylphenyl)furan-2-carboximidamide is sourced from PubChem (CID 11994827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).