3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide

C20H34N4O — CID 111298705

IUPAC3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H34N4O/c1-7-21-20(22-13-12-19(25)24(5)6)23-16(4)18-10-8-17(9-11-18)14-15(2)3/h8-11,15-16H,7,12-14H2,1-6H3,(H2,21,22,23)
InChIKeyMDXGAXWWPRYCRU-UHFFFAOYSA-N
MW346.52 g/mol
LogP2.98
Rot. Bonds8

About 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide

3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide (PubChem CID 111298705) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide
PubChem CID111298705
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide
SMILESCCN/C(=N\CCC(=O)N(C)C)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C20H34N4O/c1-7-21-20(22-13-12-19(25)24(5)6)23-16(4)18-10-8-17(9-11-18)14-15(2)3/h8-11,15-16H,7,12-14H2,1-6H3,(H2,21,22,23)
InChIKeyMDXGAXWWPRYCRU-UHFFFAOYSA-N
XLogP2.98
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.98
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

1-ethyl-2-[3-(methanesulfonamido)propyl]-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine
CID 111298603
2-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-1-ethyl-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine
CID 111298811
1-ethyl-2-[4-(4-methylpiperazin-1-yl)butyl]-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine;hydroiodide
CID 111298596
1-ethyl-3-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[[4-(methylsulfonylmethyl)phenyl]methyl]guanidine
CID 111298573
N,N-dimethyl-3-[1-[4-(2-methylpropyl)phenyl]ethylamino]propanamide
CID 60926719
N,N-dimethyl-2-[[[1-[4-(2-methylpropyl)phenyl]ethylamino]-(oxolan-2-ylmethylamino)methylidene]amino]acetamide
CID 111541986
4-[[[ethylamino-(1-phenylethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 110950069
2-[[ethylamino-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111371698
1-ethyl-2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-[1-[4-(2-methylpropyl)phenyl]ethyl]guanidine
CID 111298625
N-[2-[[[1-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111319745
4-[[[[[2-(dimethylamino)-2-oxoethyl]amino]-(1-phenylethylamino)methylidene]amino]methyl]-N,N-dimethylbenzamide
CID 111545959
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473

Frequently Asked Questions

What is the IUPAC name of 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide (CID 111298705) is 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide is CCN/C(=N\CCC(=O)N(C)C)NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide?
The InChIKey is MDXGAXWWPRYCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-7-21-20(22-13-12-19(25)24(5)6)23-16(4)18-10-8-17(9-11-18)14-15(2)3/h8-11,15-16H,7,12-14H2,1-6H3,(H2,21,22,23).
What are the key properties of 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide?
3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide has a molecular weight of 346.52 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethylamino-[1-[4-(2-methylpropyl)phenyl]ethylamino]methylidene]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 111298705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).