N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide

C20H32N4O3 — CID 110037589

IUPACN,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(/NCC1CCCCO1)N(C)CCOc1ccccc1
InChIInChI=1S/C20H32N4O3/c1-23(2)19(25)16-22-20(21-15-18-11-7-8-13-26-18)24(3)12-14-27-17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16H2,1-3H3,(H,21,22)
InChIKeyNINHJPQEBDTNBN-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.60
Rot. Bonds8

About N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide (PubChem CID 110037589) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
PubChem CID110037589
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(/NCC1CCCCO1)N(C)CCOc1ccccc1
InChIInChI=1S/C20H32N4O3/c1-23(2)19(25)16-22-20(21-15-18-11-7-8-13-26-18)24(3)12-14-27-17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16H2,1-3H3,(H,21,22)
InChIKeyNINHJPQEBDTNBN-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
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

N,N-dimethyl-2-[[[methyl-[2-(4-methylphenoxy)ethyl]amino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 111661892
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[4-(2-phenoxyethyl)piperazin-1-yl]methylidene]amino]acetamide
CID 110038093
1-[2-(4-chlorophenoxy)ethyl]-1,2-dimethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111308270
N,N-dimethyl-2-[[[(2-methyl-2-phenylpropyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110035855
2-[[3,4-dihydro-1H-isoquinolin-2-yl-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111545573
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(3-phenylpropylamino)methylidene]amino]acetamide
CID 111903609
2-[[[(4-chloro-3-fluorophenyl)methyl-methylamino]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049311
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(4-phenylcyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 110039494
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-[(1-phenylcyclopentyl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 110034356
2-[[[4-(4-ethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-(oxan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049519
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111538345
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(4-phenylpiperazin-1-yl)methylidene]amino]acetamide
CID 111493472

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide (CID 110037589) is N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(/NCC1CCCCO1)N(C)CCOc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
The InChIKey is NINHJPQEBDTNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-23(2)19(25)16-22-20(21-15-18-11-7-8-13-26-18)24(3)12-14-27-17-9-5-4-6-10-17/h4-6,9-10,18H,7-8,11-16H2,1-3H3,(H,21,22).
What are the key properties of N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide has a molecular weight of 376.50 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110037589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).