N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide

C19H24N2 — CID 102183078

IUPACN'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide
SMILESCCCC/N=C(\Cc1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H24N2/c1-3-4-14-20-19(15-17-8-6-5-7-9-17)21-18-12-10-16(2)11-13-18/h5-13H,3-4,14-15H2,1-2H3,(H,20,21)
InChIKeyPAQGPQBPGZBDGR-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.85
Rot. Bonds6

About N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide

N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide (PubChem CID 102183078) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide.

Molecular Properties

Compound NameN'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide
PubChem CID102183078
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC NameN'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide
SMILESCCCC/N=C(\Cc1ccccc1)Nc1ccc(C)cc1
InChIInChI=1S/C19H24N2/c1-3-4-14-20-19(15-17-8-6-5-7-9-17)21-18-12-10-16(2)11-13-18/h5-13H,3-4,14-15H2,1-2H3,(H,20,21)
InChIKeyPAQGPQBPGZBDGR-UHFFFAOYSA-N
XLogP4.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N'-butyl-N-diphenoxyphosphoryl-2-phenylethanimidamide
CID 46225477
N'-butyl-N-ethyl-3-phenylpropanimidamide
CID 15880906
2-(3-benzylsulfonylpropyl)-1-(4-methylphenyl)guanidine
CID 111065202
(E)-1-N-butyl-1-N'-(4-methylphenyl)-2-phenylethene-1,1-diamine
CID 177442927
(3Z)-N-(4-methylphenyl)-3-[(2-phenylacetyl)hydrazinylidene]butanamide
CID 6386610
2-dodecyl-1-phenylguanidine
CID 101076594
2-[3-(1H-indol-3-yl)propyl]-1-(4-methylphenyl)guanidine
CID 111806458
N-(4-methylphenyl)-N'-[(Z)-1-phenylbutan-2-ylideneamino]butanediamide
CID 6371689
N-(4-methylphenyl)-N'-[(Z)-1-phenylhexylideneamino]oxamide
CID 9180166
1-(4-methylphenyl)-3-[(Z)-1-phenylpentylideneamino]thiourea
CID 6131885
(1E)-1-[amino-(4-methylanilino)methylidene]-2-benzylguanidine
CID 11971695
1-amino-2-pentyl-3-phenylguanidine
CID 116511896

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide?
The IUPAC name of N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide (CID 102183078) is N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide.
What is the SMILES notation for N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide?
The canonical SMILES for N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide is CCCC/N=C(\Cc1ccccc1)Nc1ccc(C)cc1.
What is the InChIKey of N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide?
The InChIKey is PAQGPQBPGZBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-3-4-14-20-19(15-17-8-6-5-7-9-17)21-18-12-10-16(2)11-13-18/h5-13H,3-4,14-15H2,1-2H3,(H,20,21).
What are the key properties of N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide?
N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide has a molecular weight of 280.42 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-(4-methylphenyl)-2-phenylethanimidamide is sourced from PubChem (CID 102183078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).