1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C20H31FN4O2 — CID 111570145

IUPAC1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCOc1cccc(F)c1
InChIInChI=1S/C20H31FN4O2/c1-4-22-19(23-12-13-27-17-9-7-8-16(21)14-17)24-15-20(10-5-6-11-20)18(26)25(2)3/h7-9,14H,4-6,10-13,15H2,1-3H3,(H2,22,23,24)
InChIKeyIFYPKDNOQTVZBU-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.41
Rot. Bonds8

About 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 111570145) has the molecular formula C20H31FN4O2 and a molecular weight of 378.49 g/mol. Its IUPAC name is 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID111570145
Molecular FormulaC20H31FN4O2
Molecular Weight378.49 g/mol
Exact Mass378.24
IUPAC Name1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCOc1cccc(F)c1
InChIInChI=1S/C20H31FN4O2/c1-4-22-19(23-12-13-27-17-9-7-8-16(21)14-17)24-15-20(10-5-6-11-20)18(26)25(2)3/h7-9,14H,4-6,10-13,15H2,1-3H3,(H2,22,23,24)
InChIKeyIFYPKDNOQTVZBU-UHFFFAOYSA-N
XLogP2.41
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide 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

1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570144
1-[[[ethylamino-(2-phenoxyethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571655
1-[[[ethylamino-[3-(3-methoxyphenyl)propylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570541
3-[2-[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]ethyl]-N,N-dimethylbenzamide
CID 111669286
1-[[[ethylamino-[2-(2-methoxyethoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571028
1-ethyl-3-[2-(3-fluorophenoxy)ethyl]-2-(2-methylpropyl)guanidine
CID 111180331
N,N-dimethyl-1-[[[N'-methyl-N-[2-(3-methylphenoxy)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111571485
1-[[[N-ethyl-N'-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111570602
1-[[[butylamino(ethylamino)methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571749
1-[[[ethylamino-[[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]amino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 109492163
1-[[[ethylamino-[[1-(4-fluorophenyl)cyclopropyl]methylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111570935
2-butyl-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine;hydroiodide
CID 111151555

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 111570145) is 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CCN/C(=N\CC1(C(=O)N(C)C)CCCC1)NCCOc1cccc(F)c1.
What is the InChIKey of 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is IFYPKDNOQTVZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31FN4O2/c1-4-22-19(23-12-13-27-17-9-7-8-16(21)14-17)24-15-20(10-5-6-11-20)18(26)25(2)3/h7-9,14H,4-6,10-13,15H2,1-3H3,(H2,22,23,24).
What are the key properties of 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 378.49 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethylamino-[2-(3-fluorophenoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 111570145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).