2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

C18H34N4O2 — CID 110047946

IUPAC2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC1CC(OC)C1(CC)CC
InChIInChI=1S/C18H34N4O2/c1-8-18(9-2)14(10-15(18)24-7)21-17(19-11-13(3)4)20-12-16(23)22(5)6/h14-15H,3,8-12H2,1-2,4-7H3,(H2,19,20,21)
InChIKeyKKPDJBMKHXZWJL-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.78
Rot. Bonds8

About 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110047946) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID110047946
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESC=C(C)CN/C(=N\CC(=O)N(C)C)NC1CC(OC)C1(CC)CC
InChIInChI=1S/C18H34N4O2/c1-8-18(9-2)14(10-15(18)24-7)21-17(19-11-13(3)4)20-12-16(23)22(5)6/h14-15H,3,8-12H2,1-2,4-7H3,(H2,19,20,21)
InChIKeyKKPDJBMKHXZWJL-UHFFFAOYSA-N
XLogP1.78
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.78
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047965
2-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109390574
2-[[N-(2,2-diethyl-3-methoxycyclobutyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047951
2-[[(cyclopent-3-en-1-ylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047202
N,N-dimethyl-2-[[(2-methylprop-2-enylamino)-[(4-propylcyclohexyl)amino]methylidene]amino]acetamide
CID 110040375
2-[[(2-ethylbutylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111778777
2-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(oxolan-3-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 109390659
2-[[[(1-ethylcyclobutyl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043568
2-[[[(3-ethoxy-2,2-diethylcyclobutyl)amino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 109390352
2-[[[[1-(2-methoxyethyl)cyclobutyl]methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110036857
tert-butyl 3-[[N'-[2-(dimethylamino)-2-oxoethyl]-N-(2-methylprop-2-enyl)carbamimidoyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 110040341
2-[[(3-methoxypropylamino)-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110975874

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide (CID 110047946) is 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is C=C(C)CN/C(=N\CC(=O)N(C)C)NC1CC(OC)C1(CC)CC.
What is the InChIKey of 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is KKPDJBMKHXZWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-8-18(9-2)14(10-15(18)24-7)21-17(19-11-13(3)4)20-12-16(23)22(5)6/h14-15H,3,8-12H2,1-2,4-7H3,(H2,19,20,21).
What are the key properties of 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 338.50 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2,2-diethyl-3-methoxycyclobutyl)amino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110047946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).