1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine

C17H29N3O4 — CID 75462551

IUPAC1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine
SMILESCCOCCCN/C(=N/Cc1ccc(O)c(OC)c1)NCCOC
InChIInChI=1S/C17H29N3O4/c1-4-24-10-5-8-18-17(19-9-11-22-2)20-13-14-6-7-15(21)16(12-14)23-3/h6-7,12,21H,4-5,8-11,13H2,1-3H3,(H2,18,19,20)
InChIKeyRRRAPXGSVUKZLS-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.51
Rot. Bonds11

About 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine

1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine (PubChem CID 75462551) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine
PubChem CID75462551
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Name1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine
SMILESCCOCCCN/C(=N/Cc1ccc(O)c(OC)c1)NCCOC
InChIInChI=1S/C17H29N3O4/c1-4-24-10-5-8-18-17(19-9-11-22-2)20-13-14-6-7-15(21)16(12-14)23-3/h6-7,12,21H,4-5,8-11,13H2,1-3H3,(H2,18,19,20)
InChIKeyRRRAPXGSVUKZLS-UHFFFAOYSA-N
XLogP1.51
TPSA84.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941007
2-[[N'-[(3,4-dimethoxyphenyl)methyl]-N-(3-ethoxypropyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111201751
1-(3-ethoxypropyl)-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111439325
2-[(4-ethoxy-3-methoxyphenyl)methyl]-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 75419731
1-(3-ethoxypropyl)-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 110928223
1-ethyl-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine
CID 111405489
1-(3-butoxypropyl)-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3-ethylguanidine
CID 111783100
1-ethyl-2-[(3-fluoro-4-hydroxyphenyl)methyl]-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111797905
1-(3-ethoxypropyl)-2-[(3-fluoro-4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 110925126
1-(3-ethoxypropyl)-3-ethyl-2-[(4-hydroxyphenyl)methyl]guanidine
CID 111223207
1-(3-ethoxypropyl)-2-[(4-methoxyphenyl)methyl]-3-[(2,4,6-trimethoxyphenyl)methyl]guanidine;hydroiodide
CID 110925862
1-(3-ethoxypropyl)-3-ethyl-2-[[4-(2-methoxyethoxy)phenyl]methyl]guanidine
CID 111221869

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
The IUPAC name of 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine (CID 75462551) is 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine is CCOCCCN/C(=N/Cc1ccc(O)c(OC)c1)NCCOC.
What is the InChIKey of 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
The InChIKey is RRRAPXGSVUKZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-4-24-10-5-8-18-17(19-9-11-22-2)20-13-14-6-7-15(21)16(12-14)23-3/h6-7,12,21H,4-5,8-11,13H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine?
1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine has a molecular weight of 339.44 g/mol, XLogP of 1.51, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(2-methoxyethyl)guanidine is sourced from PubChem (CID 75462551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).