2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

C20H32N4O4 — CID 110061672

IUPAC2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C20H32N4O4/c1-20(27-12-13-28-20)16-6-4-10-24(15-16)19(22-14-18(25)23(2)3)21-9-8-17-7-5-11-26-17/h5,7,11,16H,4,6,8-10,12-15H2,1-3H3,(H,21,22)
InChIKeyQXESXYYKXNXPLO-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.33
Rot. Bonds6

About 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide

2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110061672) has the molecular formula C20H32N4O4 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110061672
Molecular FormulaC20H32N4O4
Molecular Weight392.50 g/mol
Exact Mass392.24
IUPAC Name2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C20H32N4O4/c1-20(27-12-13-28-20)16-6-4-10-24(15-16)19(22-14-18(25)23(2)3)21-9-8-17-7-5-11-26-17/h5,7,11,16H,4,6,8-10,12-15H2,1-3H3,(H,21,22)
InChIKeyQXESXYYKXNXPLO-UHFFFAOYSA-N
XLogP1.33
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110050091
N-[2-(furan-2-yl)ethyl]-3-(2-methyl-1,3-dioxolan-2-yl)-N'-propylpiperidine-1-carboximidamide
CID 110061686
2-[[[2-(furan-2-yl)ethylamino]-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110053298
2-[[[2-(furan-2-yl)ethylamino]-piperidin-1-ylmethylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053887
2-[[(3,5-dimethylpiperidin-1-yl)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110053316
2-[[(cyclopentylamino)-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110050079
N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
CID 110050122
ethyl 1-[N-[2-(furan-2-yl)ethyl]-N'-(2-methylprop-2-enyl)carbamimidoyl]piperidine-3-carboxylate
CID 110994537
2-[[[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053439
2-[[(4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110059711
2-[[[4-(2-fluorophenyl)piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110053311
2-[[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[2-(furan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110053630

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide (CID 110061672) is 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(\NCCc1ccco1)N1CCCC(C2(C)OCCO2)C1.
What is the InChIKey of 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is QXESXYYKXNXPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O4/c1-20(27-12-13-28-20)16-6-4-10-24(15-16)19(22-14-18(25)23(2)3)21-9-8-17-7-5-11-26-17/h5,7,11,16H,4,6,8-10,12-15H2,1-3H3,(H,21,22).
What are the key properties of 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide?
2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 392.50 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110061672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).