N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine

C23H34N2O — CID 59961378

IUPACN'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
SMILESCCCCCCON(CCCCN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N2O/c1-3-4-5-14-21-26-25(23-17-10-7-11-18-23)20-13-12-19-24(2)22-15-8-6-9-16-22/h6-11,15-18H,3-5,12-14,19-21H2,1-2H3
InChIKeyBXSDPWJVXOEWPU-UHFFFAOYSA-N
MW354.54 g/mol
LogP5.92
Rot. Bonds13

About N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine

N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine (PubChem CID 59961378) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
PubChem CID59961378
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC NameN'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine
SMILESCCCCCCON(CCCCN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C23H34N2O/c1-3-4-5-14-21-26-25(23-17-10-7-11-18-23)20-13-12-19-24(2)22-15-8-6-9-16-22/h6-11,15-18H,3-5,12-14,19-21H2,1-2H3
InChIKeyBXSDPWJVXOEWPU-UHFFFAOYSA-N
XLogP5.92
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.54
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine 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-heptyl-N-methylaniline
CID 54015540
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
N-dodecyl-N-methylaniline;pyridine
CID 22157792
2-(N-octoxyanilino)acetic acid
CID 54571565
1-phenyl-1-tetradecoxyhydrazine
CID 151258188
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
N-dimethylsilyl-N-tetradecoxyaniline
CID 174478606
pentyl 4-[hexyl(methyl)amino]benzoate
CID 139769099
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
N-heptyl-N-pentylaniline
CID 154378615
N,N-di(nonyl)aniline
CID 22637953

Frequently Asked Questions

What is the IUPAC name of N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine?
The IUPAC name of N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine (CID 59961378) is N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine.
What is the SMILES notation for N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine?
The canonical SMILES for N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine is CCCCCCON(CCCCN(C)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine?
The InChIKey is BXSDPWJVXOEWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O/c1-3-4-5-14-21-26-25(23-17-10-7-11-18-23)20-13-12-19-24(2)22-15-8-6-9-16-22/h6-11,15-18H,3-5,12-14,19-21H2,1-2H3.
What are the key properties of N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine?
N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine has a molecular weight of 354.54 g/mol, XLogP of 5.92, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexoxy-N-methyl-N,N'-diphenylbutane-1,4-diamine is sourced from PubChem (CID 59961378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).