N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide

C16H26N4O — CID 111492430

IUPACN,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C16H26N4O/c1-5-11-17-16(18-12-15(21)20(3)4)19-13(2)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyNFXOZPNEEKFNMC-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.78
Rot. Bonds6

About N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide (PubChem CID 111492430) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
PubChem CID111492430
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NC(C)c1ccccc1
InChIInChI=1S/C16H26N4O/c1-5-11-17-16(18-12-15(21)20(3)4)19-13(2)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H2,17,18,19)
InChIKeyNFXOZPNEEKFNMC-UHFFFAOYSA-N
XLogP1.78
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[[(1-phenylethylamino)-(2-phenylethylamino)methylidene]amino]acetamide
CID 111492402
2-[[(butan-2-ylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492138
N,N-dimethyl-2-[[propylamino-[1-[3-(trifluoromethyl)phenyl]ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110037972
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-piperidin-1-ylethylamino)methylidene]amino]acetamide
CID 111545909
N,N-dimethyl-2-[[[3-(2-methylpropoxy)propylamino]-(1-phenylethylamino)methylidene]amino]acetamide
CID 111545863
2-[[[2-(furan-2-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111545758
tert-butyl N-[3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(1-phenylethyl)carbamimidoyl]amino]propyl]carbamate;hydroiodide
CID 111545662
N,N-dimethyl-2-[[(1-phenylethylamino)-(2-phenylsulfanylpropylamino)methylidene]amino]acetamide
CID 111981847
2-[[[1-(3,4-dipropoxyphenyl)ethylamino]-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038085
2-[[[2-(cyclohexen-1-yl)ethylamino]-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111541129
2-[[(furan-2-ylmethylamino)-(1-phenylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111491389
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
CID 110037267

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide (CID 111492430) is N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)NC(C)c1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide?
The InChIKey is NFXOZPNEEKFNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-5-11-17-16(18-12-15(21)20(3)4)19-13(2)14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H2,17,18,19).
What are the key properties of N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(1-phenylethylamino)-(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111492430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).