N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine

C19H26N4O2 — CID 143616734

IUPACN-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine
SMILESCCCCCC(=O)Nc1ccc(N)c(O)c1C.[H]/N=C1\C=CC=C\C1=N/[H]
InChIInChI=1S/C13H20N2O2.C6H6N2/c1-3-4-5-6-12(16)15-11-8-7-10(14)13(17)9(11)2;7-5-3-1-2-4-6(5)8/h7-8,17H,3-6,14H2,1-2H3,(H,15,16);1-4,7-8H/b;7-5+,8-6+
InChIKeyNLFWQPWTQSKBRZ-JTEAZJOVSA-N
MW342.44 g/mol
LogP3.95
Rot. Bonds5

About N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine

N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine (PubChem CID 143616734) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound NameN-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine
PubChem CID143616734
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine
SMILESCCCCCC(=O)Nc1ccc(N)c(O)c1C.[H]/N=C1\C=CC=C\C1=N/[H]
InChIInChI=1S/C13H20N2O2.C6H6N2/c1-3-4-5-6-12(16)15-11-8-7-10(14)13(17)9(11)2;7-5-3-1-2-4-6(5)8/h7-8,17H,3-6,14H2,1-2H3,(H,15,16);1-4,7-8H/b;7-5+,8-6+
InChIKeyNLFWQPWTQSKBRZ-JTEAZJOVSA-N
XLogP3.95
TPSA123.05 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methylphenyl)heptanamide
CID 114752035
N-(3-hydroxy-2-methylphenyl)decanamide
CID 65426726
N-(3-amino-2,6-dimethylphenyl)decanamide
CID 65448531
N-(4-hydroxy-2,3,5-trimethylphenyl)undecanamide
CID 19788174
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
N-(2-amino-4-bromophenyl)nonanamide
CID 65449103
N-(4-amino-2-fluorophenyl)heptanamide
CID 28691330
N-(3-hydroxy-2-methylphenyl)pentanamide
CID 64792889
N-(2-hydroxy-4,5-dimethylphenyl)tetradecanamide
CID 20778606
N-(2,4-difluorophenyl)hexanamide
CID 3484261

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine (CID 143616734) is N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine is CCCCCC(=O)Nc1ccc(N)c(O)c1C.[H]/N=C1\C=CC=C\C1=N/[H].
What is the InChIKey of N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine?
The InChIKey is NLFWQPWTQSKBRZ-JTEAZJOVSA-N. The full InChI is InChI=1S/C13H20N2O2.C6H6N2/c1-3-4-5-6-12(16)15-11-8-7-10(14)13(17)9(11)2;7-5-3-1-2-4-6(5)8/h7-8,17H,3-6,14H2,1-2H3,(H,15,16);1-4,7-8H/b;7-5+,8-6+.
What are the key properties of N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine?
N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine has a molecular weight of 342.44 g/mol, XLogP of 3.95, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-hydroxy-2-methylphenyl)hexanamide;cyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 143616734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).