3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide

C18H30N4O — CID 111649324

IUPAC3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C18H30N4O/c1-6-20-17(22-12-18(4,5)16(19)23)21-8-7-15-10-13(2)9-14(3)11-15/h9-11H,6-8,12H2,1-5H3,(H2,19,23)(H2,20,21,22)
InChIKeySSORDGAJDALITG-UHFFFAOYSA-N
MW318.47 g/mol
LogP1.91
Rot. Bonds7

About 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide

3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide (PubChem CID 111649324) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
PubChem CID111649324
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
SMILESCCN/C(=N\CC(C)(C)C(N)=O)NCCc1cc(C)cc(C)c1
InChIInChI=1S/C18H30N4O/c1-6-20-17(22-12-18(4,5)16(19)23)21-8-7-15-10-13(2)9-14(3)11-15/h9-11H,6-8,12H2,1-5H3,(H2,19,23)(H2,20,21,22)
InChIKeySSORDGAJDALITG-UHFFFAOYSA-N
XLogP1.91
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
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

3-[[[2-(3,4-dimethoxyphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111214297
3-[bis(ethylamino)methylideneamino]-2,2-dimethylpropanamide
CID 110916054
2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N-propylacetamide
CID 111648720
3-[[ethylamino-(2-methoxyethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 110942506
3-[[ethylamino-[2-(furan-2-yl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111354123
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-methylguanidine
CID 111648670
1-[2-(3,5-dimethylphenyl)ethyl]-3-ethyl-2-(2-ethylsulfonylethyl)guanidine
CID 111649682
3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-N,N-dimethylpropanamide
CID 111648716
3-[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111339188
3-[[ethylamino-(2-methylsulfanylethylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111344172
N-cyclopropyl-2-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]acetamide
CID 111649430
3-[[ethylamino-(3-methoxypropylamino)methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 110976492

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide?
The IUPAC name of 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide (CID 111649324) is 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide?
The canonical SMILES for 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide is CCN/C(=N\CC(C)(C)C(N)=O)NCCc1cc(C)cc(C)c1.
What is the InChIKey of 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide?
The InChIKey is SSORDGAJDALITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-6-20-17(22-12-18(4,5)16(19)23)21-8-7-15-10-13(2)9-14(3)11-15/h9-11H,6-8,12H2,1-5H3,(H2,19,23)(H2,20,21,22).
What are the key properties of 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide?
3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide has a molecular weight of 318.47 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide is sourced from PubChem (CID 111649324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).