N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide

C20H32N4O2 — CID 110035291

IUPACN,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)NCCC1CCCCO1
InChIInChI=1S/C20H32N4O2/c1-24(2)19(25)16-23-20(21-13-11-17-8-4-3-5-9-17)22-14-12-18-10-6-7-15-26-18/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H2,21,22,23)
InChIKeyWGPIKENHDJGTIZ-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.81
Rot. Bonds8

About N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide (PubChem CID 110035291) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide
PubChem CID110035291
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC NameN,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(\NCCc1ccccc1)NCCC1CCCCO1
InChIInChI=1S/C20H32N4O2/c1-24(2)19(25)16-23-20(21-13-11-17-8-4-3-5-9-17)22-14-12-18-10-6-7-15-26-18/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H2,21,22,23)
InChIKeyWGPIKENHDJGTIZ-UHFFFAOYSA-N
XLogP1.81
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[[(oxolan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111538345
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(3-phenylpropylamino)methylidene]amino]acetamide
CID 111903609
2-[[[(1-benzylpiperidin-4-yl)amino]-[2-(oxan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034302
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110034808
N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110034804
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
2-[[ethylamino-[2-(oxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365158
N,N-dimethyl-2-[[[(2-methyl-2-phenylpropyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110035855
2-[[(3-cyclohexyloxypropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751590
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]acetamide
CID 111139967
2-[[[2-(1H-indol-2-yl)ethylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110034920
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide (CID 110035291) is N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(\NCCc1ccccc1)NCCC1CCCCO1.
What is the InChIKey of N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
The InChIKey is WGPIKENHDJGTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-24(2)19(25)16-23-20(21-13-11-17-8-4-3-5-9-17)22-14-12-18-10-6-7-15-26-18/h3-5,8-9,18H,6-7,10-16H2,1-2H3,(H2,21,22,23).
What are the key properties of N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide has a molecular weight of 360.50 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110035291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).