N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

C24H34NO4P — CID 132582179

IUPACN-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESC=Cc1ccc(COc2ccc(C(NCC(C)C)P(=O)(OCC)OCC)cc2)cc1
InChIInChI=1S/C24H34NO4P/c1-6-20-9-11-21(12-10-20)18-27-23-15-13-22(14-16-23)24(25-17-19(4)5)30(26,28-7-2)29-8-3/h6,9-16,19,24-25H,1,7-8,17-18H2,2-5H3
InChIKeyUKVDKQWNTFSLGU-UHFFFAOYSA-N
MW431.51 g/mol
LogP6.42
Rot. Bonds13

About N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine

N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 132582179) has the molecular formula C24H34NO4P and a molecular weight of 431.51 g/mol. Its IUPAC name is N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID132582179
Molecular FormulaC24H34NO4P
Molecular Weight431.51 g/mol
Exact Mass431.22
IUPAC NameN-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
SMILESC=Cc1ccc(COc2ccc(C(NCC(C)C)P(=O)(OCC)OCC)cc2)cc1
InChIInChI=1S/C24H34NO4P/c1-6-20-9-11-21(12-10-20)18-27-23-15-13-22(14-16-23)24(25-17-19(4)5)30(26,28-7-2)29-8-3/h6,9-16,19,24-25H,1,7-8,17-18H2,2-5H3
InChIKeyUKVDKQWNTFSLGU-UHFFFAOYSA-N
XLogP6.42
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.51
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[diethoxyphosphoryl-[3-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 132582180
methyl (2S)-2-[[4-[(4-ethenylphenyl)methoxy]phenyl]methylideneamino]-3-methylbutanoate
CID 11100242
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
1-ethenyl-4-[(4-methylphenoxy)methyl]benzene;N-methylmethanimine
CID 145260573
4-[(E)-2-[4-[(4-ethenylphenyl)methoxy]phenyl]ethenyl]-1-[(4-ethenylphenyl)methyl]pyridin-1-ium
CID 20764928
[4-[(4-ethenylphenyl)methoxy]phenyl] thiohypoiodite
CID 132547089
1-ethenyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 163602291
2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene
CID 126737195
dimethyl 2-[1-[[diethoxyphosphoryl-(4-fluorophenyl)methyl]amino]-2-methylpropan-2-yl]propanedioate
CID 11155076
2-[(4-ethenylphenoxy)methylamino]-1-(4-ethenylphenyl)ethanol
CID 154528820
1-ethyl-4-[(4-propan-2-ylphenyl)methoxy]benzene
CID 59709478

Frequently Asked Questions

What is the IUPAC name of N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine (CID 132582179) is N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is C=Cc1ccc(COc2ccc(C(NCC(C)C)P(=O)(OCC)OCC)cc2)cc1.
What is the InChIKey of N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is UKVDKQWNTFSLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34NO4P/c1-6-20-9-11-21(12-10-20)18-27-23-15-13-22(14-16-23)24(25-17-19(4)5)30(26,28-7-2)29-8-3/h6,9-16,19,24-25H,1,7-8,17-18H2,2-5H3.
What are the key properties of N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine?
N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 431.51 g/mol, XLogP of 6.42, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 132582179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).