[anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid

C19H26NO5P — CID 22310127

IUPAC[anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid
SMILESCCOc1ccc(C(Nc2ccccc2)P(=O)(O)OC(C)C(C)O)cc1
InChIInChI=1S/C19H26NO5P/c1-4-24-18-12-10-16(11-13-18)19(20-17-8-6-5-7-9-17)26(22,23)25-15(3)14(2)21/h5-15,19-21H,4H2,1-3H3,(H,22,23)
InChIKeyCZZKTGOJPXRNFT-UHFFFAOYSA-N
MW379.39 g/mol
LogP4.17
Rot. Bonds9

About [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid

[anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid (PubChem CID 22310127) has the molecular formula C19H26NO5P and a molecular weight of 379.39 g/mol. Its IUPAC name is [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name[anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid
PubChem CID22310127
Molecular FormulaC19H26NO5P
Molecular Weight379.39 g/mol
Exact Mass379.15
IUPAC Name[anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid
SMILESCCOc1ccc(C(Nc2ccccc2)P(=O)(O)OC(C)C(C)O)cc1
InChIInChI=1S/C19H26NO5P/c1-4-24-18-12-10-16(11-13-18)19(20-17-8-6-5-7-9-17)26(22,23)25-15(3)14(2)21/h5-15,19-21H,4H2,1-3H3,(H,22,23)
InChIKeyCZZKTGOJPXRNFT-UHFFFAOYSA-N
XLogP4.17
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic 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-[[anilino-(4-ethoxyphenyl)methyl]-hydroxyphosphinothioyl]oxybutan-2-ol
CID 3989092
N-[dimethoxyphosphoryl(phenyl)methyl]-4-ethoxyaniline
CID 630631
3-anilino-3-(4-ethoxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 132592185
N-[di(propan-2-yloxy)phosphoryl-(4-propan-2-ylphenyl)methyl]aniline
CID 18859987
3-(4-ethoxyphenyl)-3-(3-methylanilino)-1-phenylpropan-1-one
CID 132592101
3-(4-ethoxyphenyl)-3-(4-methylanilino)-1-phenylpropan-1-one
CID 132592048
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
2-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 152610342
N-[dimethoxyphosphoryl-(4-methoxyphenyl)methyl]aniline
CID 3558398
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
ethyl 4-[[di(propan-2-yloxy)phosphoryl-phenylmethyl]amino]benzoate
CID 21210661
2-(4-ethoxyanilino)-N-methylpropanamide
CID 43085866

Frequently Asked Questions

What is the IUPAC name of [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid?
The IUPAC name of [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid (CID 22310127) is [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid.
What is the SMILES notation for [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid?
The canonical SMILES for [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid is CCOc1ccc(C(Nc2ccccc2)P(=O)(O)OC(C)C(C)O)cc1.
What is the InChIKey of [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid?
The InChIKey is CZZKTGOJPXRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO5P/c1-4-24-18-12-10-16(11-13-18)19(20-17-8-6-5-7-9-17)26(22,23)25-15(3)14(2)21/h5-15,19-21H,4H2,1-3H3,(H,22,23).
What are the key properties of [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid?
[anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid has a molecular weight of 379.39 g/mol, XLogP of 4.17, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [anilino-(4-ethoxyphenyl)methyl]-(3-hydroxybutan-2-yloxy)phosphinic acid is sourced from PubChem (CID 22310127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).