2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine

C22H34N4O3 — CID 110937302

IUPAC2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCCN(CC)CC)c(OC)c1)NCc1ccco1
InChIInChI=1S/C22H34N4O3/c1-5-23-22(25-17-19-9-8-13-28-19)24-16-18-10-11-20(21(15-18)27-4)29-14-12-26(6-2)7-3/h8-11,13,15H,5-7,12,14,16-17H2,1-4H3,(H2,23,24,25)
InChIKeyAGQVIQXVTSEYFT-UHFFFAOYSA-N
MW402.54 g/mol
LogP3.26
Rot. Bonds12

About 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine

2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine (PubChem CID 110937302) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine.

Molecular Properties

Compound Name2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
PubChem CID110937302
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1ccc(OCCN(CC)CC)c(OC)c1)NCc1ccco1
InChIInChI=1S/C22H34N4O3/c1-5-23-22(25-17-19-9-8-13-28-19)24-16-18-10-11-20(21(15-18)27-4)29-14-12-26(6-2)7-3/h8-11,13,15H,5-7,12,14,16-17H2,1-4H3,(H2,23,24,25)
InChIKeyAGQVIQXVTSEYFT-UHFFFAOYSA-N
XLogP3.26
TPSA71.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine 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-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111706789
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111953562
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111534521
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 111544365
2-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine
CID 110938650
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111190833
1-(furan-2-ylmethyl)-3-[(3-methoxy-4-propoxyphenyl)methyl]-2-methylguanidine
CID 110933741
1-ethyl-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-[(3-methoxy-4-propoxyphenyl)methyl]guanidine
CID 111672998
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111699512
2-[(3,4-dimethoxyphenyl)methyl]-1-[(4-ethoxy-3-methoxyphenyl)methyl]-3-ethylguanidine
CID 111201824
1-ethyl-2-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methyl]-3-[(4-methylphenyl)methyl]guanidine
CID 111243541
1-ethyl-2-[(3-methoxy-4-propoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110967573

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine?
The IUPAC name of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine (CID 110937302) is 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine.
What is the SMILES notation for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine?
The canonical SMILES for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine is CCN/C(=N\Cc1ccc(OCCN(CC)CC)c(OC)c1)NCc1ccco1.
What is the InChIKey of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine?
The InChIKey is AGQVIQXVTSEYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-5-23-22(25-17-19-9-8-13-28-19)24-16-18-10-11-20(21(15-18)27-4)29-14-12-26(6-2)7-3/h8-11,13,15H,5-7,12,14,16-17H2,1-4H3,(H2,23,24,25).
What are the key properties of 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine?
2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine has a molecular weight of 402.54 g/mol, XLogP of 3.26, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]methyl]-1-ethyl-3-(furan-2-ylmethyl)guanidine is sourced from PubChem (CID 110937302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).