2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

C17H28N4O — CID 111492138

IUPAC2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C17H28N4O/c1-6-13(2)19-17(18-12-16(22)21(4)5)20-14(3)15-10-8-7-9-11-15/h7-11,13-14H,6,12H2,1-5H3,(H2,18,19,20)
InChIKeyLHHMIYGXBZOQMA-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds6

About 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111492138) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111492138
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C17H28N4O/c1-6-13(2)19-17(18-12-16(22)21(4)5)20-14(3)15-10-8-7-9-11-15/h7-11,13-14H,6,12H2,1-5H3,(H2,18,19,20)
InChIKeyLHHMIYGXBZOQMA-UHFFFAOYSA-N
XLogP2.17
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[(butan-2-ylamino)-(2,2-diphenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545375
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
CID 111492430
2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038035
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111492402
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylsulfanylpropylamino)methylidene]amino]acetamide
CID 111981847
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-piperidin-1-ylethylamino)methylidene]amino]acetamide
CID 111545909
2-[[[(1-cyclopropylpiperidin-4-yl)amino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038875
2-[[[1-(4-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119139969
2-[[(furan-2-ylmethylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491389
2-[[[(5-ethyl-1,3-thiazol-2-yl)methylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545746
2-[[[1-(3-chlorophenyl)ethylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119139963
N,N-dimethyl-2-[[[3-(2-methylpropoxy)propylamino]-(1-phenylethylamino)methylidene]amino]acetamide
CID 111545863

Frequently Asked Questions

What is the IUPAC name of 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111492138) is 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is CCC(C)N/C(=N\CC(=O)N(C)C)NC(C)c1ccccc1.
What is the InChIKey of 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is LHHMIYGXBZOQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-6-13(2)19-17(18-12-16(22)21(4)5)20-14(3)15-10-8-7-9-11-15/h7-11,13-14H,6,12H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 304.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111492138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).