2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide

C17H28N4O3 — CID 110044769

IUPAC2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N4O3/c1-6-7-10-18-17(19-12-16(22)21(2)3)20-13-8-9-14(23-4)15(11-13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H2,18,19,20)
InChIKeyMWLARNORZPLLLQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.95
Rot. Bonds8

About 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide

2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110044769) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110044769
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCCCN/C(=N\CC(=O)N(C)C)Nc1ccc(OC)c(OC)c1
InChIInChI=1S/C17H28N4O3/c1-6-7-10-18-17(19-12-16(22)21(2)3)20-13-8-9-14(23-4)15(11-13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H2,18,19,20)
InChIKeyMWLARNORZPLLLQ-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044823
2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
CID 110044765
2-[[(3,4-dimethoxyanilino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044777
2-[[(3-ethoxy-4-methoxyanilino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044842
2-[[N-butyl-N'-[(3,4-dimethoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111200525
2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(3-ethoxypropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111214216
2-[[N'-benzyl-N-(3,4-dimethoxyphenyl)carbamimidoyl]amino]-N,N-dimethylacetamide
CID 110044761
2-[[[3-(3-ethoxy-4-methoxyphenyl)propylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111574735
2-[[(2-ethylhexylamino)-(3,4,5-trimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111146171
4-N-(3,4-dimethoxyphenyl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048755
2-[[[3-(4-bromo-2-methoxyphenyl)propylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110035757
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712

Frequently Asked Questions

What is the IUPAC name of 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide (CID 110044769) is 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide is CCCCN/C(=N\CC(=O)N(C)C)Nc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is MWLARNORZPLLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-6-7-10-18-17(19-12-16(22)21(2)3)20-13-8-9-14(23-4)15(11-13)24-5/h8-9,11H,6-7,10,12H2,1-5H3,(H2,18,19,20).
What are the key properties of 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 336.44 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110044769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).