2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol

C20H25NO — CID 3061929

IUPAC2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol
SMILESCCCC/N=C(\c1ccc(C)cc1C)c1cc(C)ccc1O
InChIInChI=1S/C20H25NO/c1-5-6-11-21-20(17-9-7-14(2)12-16(17)4)18-13-15(3)8-10-19(18)22/h7-10,12-13,22H,5-6,11H2,1-4H3/b21-20+
InChIKeyKGNGSAXTZRXMCI-QZQOTICOSA-N
MW295.43 g/mol
LogP4.95
Rot. Bonds5

About 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol

2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol (PubChem CID 3061929) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol.

Molecular Properties

Compound Name2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol
PubChem CID3061929
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol
SMILESCCCC/N=C(\c1ccc(C)cc1C)c1cc(C)ccc1O
InChIInChI=1S/C20H25NO/c1-5-6-11-21-20(17-9-7-14(2)12-16(17)4)18-13-15(3)8-10-19(18)22/h7-10,12-13,22H,5-6,11H2,1-4H3/b21-20+
InChIKeyKGNGSAXTZRXMCI-QZQOTICOSA-N
XLogP4.95
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[[(2-chlorophenyl)-(2-hydroxy-5-methylphenyl)methylidene]amino]butanoic acid
CID 3046774
2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
CID 135948988
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
2-[N-(2-aminoethyl)-C-methylcarbonimidoyl]-4-methylphenol
CID 137181033
2-(C-heptan-3-yl-N-hydroxycarbonimidoyl)-4-methylphenol
CID 4160312
2-[(E)-C-butyl-N-hydroxycarbonimidoyl]-5-methylphenol
CID 135589132
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
2-[(E)-N-hydroxy-C-[(11E)-11-hydroxyimino-11-(2-hydroxy-5-methylphenyl)undecyl]carbonimidoyl]-4-methylphenol
CID 135684564
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methylphenol
CID 135641577
2,4-dimethylphenol
CID 67713801
2-but-1-en-2-yl-4-methylphenol
CID 142975945
CID 172763014
CID 172763014

Frequently Asked Questions

What is the IUPAC name of 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol?
The IUPAC name of 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol (CID 3061929) is 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol.
What is the SMILES notation for 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol?
The canonical SMILES for 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol is CCCC/N=C(\c1ccc(C)cc1C)c1cc(C)ccc1O.
What is the InChIKey of 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol?
The InChIKey is KGNGSAXTZRXMCI-QZQOTICOSA-N. The full InChI is InChI=1S/C20H25NO/c1-5-6-11-21-20(17-9-7-14(2)12-16(17)4)18-13-15(3)8-10-19(18)22/h7-10,12-13,22H,5-6,11H2,1-4H3/b21-20+.
What are the key properties of 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol?
2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol has a molecular weight of 295.43 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-butyl-C-(2,4-dimethylphenyl)carbonimidoyl]-4-methylphenol is sourced from PubChem (CID 3061929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).