N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide

C19H34N4O4 — CID 110050122

IUPACN,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCOC1)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C19H34N4O4/c1-19(26-9-10-27-19)16-5-4-7-23(13-16)18(21-12-17(24)22(2)3)20-11-15-6-8-25-14-15/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyGEFBRMJHVFJWHL-UHFFFAOYSA-N
MW382.51 g/mol
LogP0.53
Rot. Bonds5

About N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide (PubChem CID 110050122) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
PubChem CID110050122
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC NameN,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCC1CCOC1)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C19H34N4O4/c1-19(26-9-10-27-19)16-5-4-7-23(13-16)18(21-12-17(24)22(2)3)20-11-15-6-8-25-14-15/h15-16H,4-14H2,1-3H3,(H,20,21)
InChIKeyGEFBRMJHVFJWHL-UHFFFAOYSA-N
XLogP0.53
TPSA75.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.53
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

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]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110050091
2-[[[2-(furan-2-yl)ethylamino]-[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methylidene]amino]-N,N-dimethylacetamide
CID 110061672
2-[[(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110046395
N,N-dimethyl-2-[[[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110042027
2-[[(cyclohexylmethylamino)-(3-methylpiperidin-1-yl)methylidene]amino]-N,N-dimethylacetamide
CID 110037309
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110033408
2-[[(cyclohexylmethylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 111493030
2-[[[(4,4-dimethylcyclohexyl)methylamino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036538
2-[1-[N-(cyclohexylmethyl)-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]piperidin-3-yl]acetamide;hydroiodide
CID 110044496
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111654805
ethyl 1-[N-(cyclohexylmethyl)-N'-[2-(dimethylamino)-2-oxoethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110037250

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide (CID 110050122) is N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCC1CCOC1)N1CCCC(C2(C)OCCO2)C1.
What is the InChIKey of N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is GEFBRMJHVFJWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-19(26-9-10-27-19)16-5-4-7-23(13-16)18(21-12-17(24)22(2)3)20-11-15-6-8-25-14-15/h15-16H,4-14H2,1-3H3,(H,20,21).
What are the key properties of N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 382.51 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110050122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).