N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine

C28H42NO8P3 — CID 155355266

IUPACN-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(=O)(/C=C/c1ccc(COP(OCc2ccc(/C=C/P(=O)(OC)OC)cc2)N(C(C)C)C(C)C)cc1)OC
InChIInChI=1S/C28H42NO8P3/c1-23(2)29(24(3)4)38(36-21-27-13-9-25(10-14-27)17-19-39(30,32-5)33-6)37-22-28-15-11-26(12-16-28)18-20-40(31,34-7)35-8/h9-20,23-24H,21-22H2,1-8H3/b19-17+,20-18+
InChIKeyQAIMYNIONYQSEJ-XPWSMXQVSA-N
MW613.57 g/mol
LogP8.68
Rot. Bonds17

About N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine

N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine (PubChem CID 155355266) has the molecular formula C28H42NO8P3 and a molecular weight of 613.57 g/mol. Its IUPAC name is N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
PubChem CID155355266
Molecular FormulaC28H42NO8P3
Molecular Weight613.57 g/mol
Exact Mass613.21
IUPAC NameN-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine
SMILESCOP(=O)(/C=C/c1ccc(COP(OCc2ccc(/C=C/P(=O)(OC)OC)cc2)N(C(C)C)C(C)C)cc1)OC
InChIInChI=1S/C28H42NO8P3/c1-23(2)29(24(3)4)38(36-21-27-13-9-25(10-14-27)17-19-39(30,32-5)33-6)37-22-28-15-11-26(12-16-28)18-20-40(31,34-7)35-8/h9-20,23-24H,21-22H2,1-8H3/b19-17+,20-18+
InChIKeyQAIMYNIONYQSEJ-XPWSMXQVSA-N
XLogP8.68
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.57
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine (CID 155355266) is N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine is COP(=O)(/C=C/c1ccc(COP(OCc2ccc(/C=C/P(=O)(OC)OC)cc2)N(C(C)C)C(C)C)cc1)OC.
What is the InChIKey of N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
The InChIKey is QAIMYNIONYQSEJ-XPWSMXQVSA-N. The full InChI is InChI=1S/C28H42NO8P3/c1-23(2)29(24(3)4)38(36-21-27-13-9-25(10-14-27)17-19-39(30,32-5)33-6)37-22-28-15-11-26(12-16-28)18-20-40(31,34-7)35-8/h9-20,23-24H,21-22H2,1-8H3/b19-17+,20-18+.
What are the key properties of N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine?
N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine has a molecular weight of 613.57 g/mol, XLogP of 8.68, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis[[4-[(E)-2-dimethoxyphosphorylethenyl]phenyl]methoxy]phosphanyl]-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 155355266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).