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

C18H28N4O3 — CID 110044765

IUPAC2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(N/C(=N/CC(=O)N(C)C)NC2CCCC2)cc1OC
InChIInChI=1S/C18H28N4O3/c1-22(2)17(23)12-19-18(20-13-7-5-6-8-13)21-14-9-10-15(24-3)16(11-14)25-4/h9-11,13H,5-8,12H2,1-4H3,(H2,19,20,21)
InChIKeyAYLVYSHVHSNKII-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.09
Rot. Bonds6

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

2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110044765) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110044765
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
SMILESCOc1ccc(N/C(=N/CC(=O)N(C)C)NC2CCCC2)cc1OC
InChIInChI=1S/C18H28N4O3/c1-22(2)17(23)12-19-18(20-13-7-5-6-8-13)21-14-9-10-15(24-3)16(11-14)25-4/h9-11,13H,5-8,12H2,1-4H3,(H2,19,20,21)
InChIKeyAYLVYSHVHSNKII-UHFFFAOYSA-N
XLogP2.09
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[(3,4-dimethoxyanilino)-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044777
2-[[butylamino-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide
CID 110044769
2-[[(3-ethoxy-4-methoxyanilino)-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110044823
2-[[(cyclopentylamino)-(cyclopropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 119116690
2-[[(cyclopentylamino)-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111841832
3-[[amino-(3,4-dimethoxyanilino)methylidene]amino]-N-cyclohexylpropanamide
CID 111075467
2-[[(3-ethoxy-4-methoxyanilino)-(thiophen-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110044842
2-(cyclohexylcarbamoylamino)-N-(3,4-dimethoxyphenyl)acetamide
CID 112999302
2-[[(cyclohexylamino)-(cyclopent-3-en-1-ylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047214
1-(cyclohexylcarbamothioylamino)-3-(3,4-dimethoxyphenyl)urea
CID 1295411
2-[[(cyclopentylamino)-[[3-(4-methoxyphenyl)-2-methylpropyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 110036519
tert-butyl N-[4-[2-[[N-cyclopentyl-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]amino]ethyl]phenyl]carbamate;hydroiodide
CID 110045390

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide (CID 110044765) is 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide is COc1ccc(N/C(=N/CC(=O)N(C)C)NC2CCCC2)cc1OC.
What is the InChIKey of 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is AYLVYSHVHSNKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-22(2)17(23)12-19-18(20-13-7-5-6-8-13)21-14-9-10-15(24-3)16(11-14)25-4/h9-11,13H,5-8,12H2,1-4H3,(H2,19,20,21).
What are the key properties of 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 348.45 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclopentylamino)-(3,4-dimethoxyanilino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110044765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).