2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

C17H28N4O — CID 111136005

IUPAC2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccccc1
InChIInChI=1S/C17H28N4O/c1-4-5-12-18-17(20-14-16(22)21(2)3)19-13-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H2,18,19,20)
InChIKeyLUDADFXANGDCSX-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.65
Rot. Bonds8

About 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111136005) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111136005
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)NCCc1ccccc1
InChIInChI=1S/C17H28N4O/c1-4-5-12-18-17(20-14-16(22)21(2)3)19-13-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H2,18,19,20)
InChIKeyLUDADFXANGDCSX-UHFFFAOYSA-N
XLogP1.65
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-[[(hexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111539178
2-[[(3-fluoropropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033419
2-[[(2-ethoxyethylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751604
2-[[butylamino-[2-(3,5-dimethylphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111649584
2-[[[2-(2-chlorophenyl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751609
N,N-dimethyl-2-[[(2-phenylethylamino)-(prop-2-enylamino)methylidene]amino]acetamide
CID 111134445
N,N-dimethyl-2-[[(2-phenylethylamino)-(4-propan-2-yloxybutylamino)methylidene]amino]acetamide;hydroiodide
CID 110035262
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
2-[[[2-(4-methoxyphenyl)ethylamino]-(pentylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538212
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
2-[[butylamino-(2-phenylsulfanylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111496178
2-[[[2-(furan-2-yl)ethylamino]-(3-phenylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111903603

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111136005) is 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is CCCCN/C(=N\CC(=O)N(C)C)NCCc1ccccc1.
What is the InChIKey of 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is LUDADFXANGDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-4-5-12-18-17(20-14-16(22)21(2)3)19-13-11-15-9-7-6-8-10-15/h6-10H,4-5,11-14H2,1-3H3,(H2,18,19,20).
What are the key properties of 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 304.44 g/mol, XLogP of 1.65, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111136005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).