(2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide

C17H27N3O — CID 137295719

IUPAC(2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide
SMILESCCCCC/N=C(NCCCC)/C(=N\O)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-3-5-10-14-19-17(18-13-6-4-2)16(20-21)15-11-8-7-9-12-15/h7-9,11-12,21H,3-6,10,13-14H2,1-2H3,(H,18,19)/b20-16-
InChIKeyQLCGDKNTCXZLAC-SILNSSARSA-N
MW289.42 g/mol
LogP3.84
Rot. Bonds9

About (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide

(2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide (PubChem CID 137295719) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide.

Molecular Properties

Compound Name(2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide
PubChem CID137295719
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide
SMILESCCCCC/N=C(NCCCC)/C(=N\O)c1ccccc1
InChIInChI=1S/C17H27N3O/c1-3-5-10-14-19-17(18-13-6-4-2)16(20-21)15-11-8-7-9-12-15/h7-9,11-12,21H,3-6,10,13-14H2,1-2H3,(H,18,19)/b20-16-
InChIKeyQLCGDKNTCXZLAC-SILNSSARSA-N
XLogP3.84
TPSA56.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N'-diethylbenzenecarboximidamide;hydrochloride
CID 45260153
N,N'-Bis(1-phenylpropan-2-yl)ethanimidamide
CID 3046295
Benzenecarboximidamide, N-ethyl-N'-methyl-, monohydrochloride
CID 3049210
Benzenecarboximidamide, N'-methyl-N-propyl-, monohydriodide
CID 3056074
N,N'-diethyl-2-(4-fluorophenyl)ethanimidamide;hydrochloride
CID 45260139
N,N'-diethyl-2-(3-methylphenyl)ethanimidamide;hydrochloride
CID 45264433
2-Benzyl-1,4,5,6-tetrahydropyrimidine
CID 179385
N,N'-dipropylbenzenecarboximidamide
CID 12682947
N,N'-diisopropyl-benzamidine
CID 12475708
N,N'-Diethyl-4-vinylbenzamidine
CID 22015298
(NZ)-N-[2-(cyclohexylamino)-1-phenylethylidene]hydroxylamine
CID 56665902
N-ethyl-N'-methylbenzenecarboximidamide
CID 3049211

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide?
The IUPAC name of (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide (CID 137295719) is (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide.
What is the SMILES notation for (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide?
The canonical SMILES for (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide is CCCCC/N=C(NCCCC)/C(=N\O)c1ccccc1.
What is the InChIKey of (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide?
The InChIKey is QLCGDKNTCXZLAC-SILNSSARSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-5-10-14-19-17(18-13-6-4-2)16(20-21)15-11-8-7-9-12-15/h7-9,11-12,21H,3-6,10,13-14H2,1-2H3,(H,18,19)/b20-16-.
What are the key properties of (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide?
(2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide has a molecular weight of 289.42 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-butyl-2-hydroxyimino-N'-pentyl-2-phenylethanimidamide is sourced from PubChem (CID 137295719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).