N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide

C19H30N4O2 — CID 110045131

IUPACN,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(/NCCc1ccccc1)NCC1(C)CCCO1
InChIInChI=1S/C19H30N4O2/c1-19(11-7-13-25-19)15-22-18(21-14-17(24)23(2)3)20-12-10-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3,(H2,20,21,22)
InChIKeyLNHBQIBDXHVUGL-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.42
Rot. Bonds7

About N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide (PubChem CID 110045131) has the molecular formula C19H30N4O2 and a molecular weight of 346.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide
PubChem CID110045131
Molecular FormulaC19H30N4O2
Molecular Weight346.47 g/mol
Exact Mass346.24
IUPAC NameN,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide
SMILESCN(C)C(=O)C/N=C(/NCCc1ccccc1)NCC1(C)CCCO1
InChIInChI=1S/C19H30N4O2/c1-19(11-7-13-25-19)15-22-18(21-14-17(24)23(2)3)20-12-10-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3,(H2,20,21,22)
InChIKeyLNHBQIBDXHVUGL-UHFFFAOYSA-N
XLogP1.42
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.42
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-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylsulfanylethylamino)methylidene]amino]acetamide
CID 110045141
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110045148
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110045135
2-[[(3-ethoxypropylamino)-[(2-methyloxolan-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110045158
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111751507
2-[[butylamino-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111136005
N,N-dimethyl-2-[[(oxolan-2-ylmethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111538345
2-[[(cyclohexylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111134761
2-[[[2-(furan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111751506
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111134136
N,N-dimethyl-2-[[[2-(oxan-2-yl)ethylamino]-(2-phenylethylamino)methylidene]amino]acetamide
CID 110035291
2-[[(3-fluoropropylamino)-(2-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110033419

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide (CID 110045131) is N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide is CN(C)C(=O)C/N=C(/NCCc1ccccc1)NCC1(C)CCCO1.
What is the InChIKey of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
The InChIKey is LNHBQIBDXHVUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-19(11-7-13-25-19)15-22-18(21-14-17(24)23(2)3)20-12-10-16-8-5-4-6-9-16/h4-6,8-9H,7,10-15H2,1-3H3,(H2,20,21,22).
What are the key properties of N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide has a molecular weight of 346.47 g/mol, XLogP of 1.42, 7 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-methyloxolan-2-yl)methylamino]-(2-phenylethylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110045131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).