3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid

C26H34NO6P — CID 71599560

IUPAC3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid
SMILESCOc1cccc(CCCCCOc2ccc(CNCCCP(=O)(O)O)cc2-c2ccco2)c1
InChIInChI=1S/C26H34NO6P/c1-31-23-10-5-9-21(18-23)8-3-2-4-15-32-26-13-12-22(19-24(26)25-11-6-16-33-25)20-27-14-7-17-34(28,29)30/h5-6,9-13,16,18-19,27H,2-4,7-8,14-15,17,20H2,1H3,(H2,28,29,30)
InChIKeyOLUQNJJITJQBOE-UHFFFAOYSA-N
MW487.53 g/mol
LogP5.40
Rot. Bonds15

About 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid

3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid (PubChem CID 71599560) has the molecular formula C26H34NO6P and a molecular weight of 487.53 g/mol. Its IUPAC name is 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid.

Molecular Properties

Compound Name3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid
PubChem CID71599560
Molecular FormulaC26H34NO6P
Molecular Weight487.53 g/mol
Exact Mass487.21
IUPAC Name3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid
SMILESCOc1cccc(CCCCCOc2ccc(CNCCCP(=O)(O)O)cc2-c2ccco2)c1
InChIInChI=1S/C26H34NO6P/c1-31-23-10-5-9-21(18-23)8-3-2-4-15-32-26-13-12-22(19-24(26)25-11-6-16-33-25)20-27-14-7-17-34(28,29)30/h5-6,9-13,16,18-19,27H,2-4,7-8,14-15,17,20H2,1H3,(H2,28,29,30)
InChIKeyOLUQNJJITJQBOE-UHFFFAOYSA-N
XLogP5.40
TPSA101.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.53
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid 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

3-[[4-[5-(3-chlorophenyl)pentoxy]-3-(furan-2-yl)phenyl]methylamino]propylphosphonic acid
CID 71599734
4-[[3-(furan-2-yl)-4-(5-phenylpentoxy)phenyl]methylamino]butan-2-ylphosphonic acid
CID 71599731
3-[[4-[3-[3-fluoro-4-(2-methylpropyl)phenyl]propoxy]-3-(furan-2-yl)phenyl]methylamino]propylphosphonic acid
CID 71599220
bis[3-[[3-(furan-2-yl)-4-[5-[3-(trifluoromethyl)phenyl]pentoxy]phenyl]methylamino]propoxy]-oxophosphanium
CID 90181603
3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
CID 10287343
1-[[3-(furan-2-yl)-4-(5-phenylpentoxy)phenyl]methyl]azetidine-3-carboxylic acid
CID 53238480
3-[[3-(5-fluorothiophen-2-yl)-5-(5-phenylpentoxy)phenyl]methylamino]propylphosphonic acid
CID 53232998
2-methoxy-N-[(3-methoxyphenyl)methyl]ethanamine;hydrochloride
CID 17295666
3-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)propan-1-amine
CID 83461576
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]butan-1-amine
CID 114009157
3-bromo-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 114293504

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid?
The IUPAC name of 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid (CID 71599560) is 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid.
What is the SMILES notation for 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid?
The canonical SMILES for 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid is COc1cccc(CCCCCOc2ccc(CNCCCP(=O)(O)O)cc2-c2ccco2)c1.
What is the InChIKey of 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid?
The InChIKey is OLUQNJJITJQBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34NO6P/c1-31-23-10-5-9-21(18-23)8-3-2-4-15-32-26-13-12-22(19-24(26)25-11-6-16-33-25)20-27-14-7-17-34(28,29)30/h5-6,9-13,16,18-19,27H,2-4,7-8,14-15,17,20H2,1H3,(H2,28,29,30).
What are the key properties of 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid?
3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid has a molecular weight of 487.53 g/mol, XLogP of 5.40, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(furan-2-yl)-4-[5-(3-methoxyphenyl)pentoxy]phenyl]methylamino]propylphosphonic acid is sourced from PubChem (CID 71599560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).