N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide

C28H49N4O4P3 — CID 58654513

IUPACN-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide
SMILESCC(=O)NCCP(CCCP(CCCP(CCNC(C)=O)CCNC(C)=O)c1ccccc1)CCNC(C)=O
InChIInChI=1S/C28H49N4O4P3/c1-24(33)29-12-20-37(21-13-30-25(2)34)16-8-18-39(28-10-6-5-7-11-28)19-9-17-38(22-14-31-26(3)35)23-15-32-27(4)36/h5-7,10-11H,8-9,12-23H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyFHFZOYNDWKLGOD-UHFFFAOYSA-N
MW598.65 g/mol
LogP3.08
Rot. Bonds21

About N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide

N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide (PubChem CID 58654513) has the molecular formula C28H49N4O4P3 and a molecular weight of 598.65 g/mol. Its IUPAC name is N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide
PubChem CID58654513
Molecular FormulaC28H49N4O4P3
Molecular Weight598.65 g/mol
Exact Mass598.30
IUPAC NameN-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide
SMILESCC(=O)NCCP(CCCP(CCCP(CCNC(C)=O)CCNC(C)=O)c1ccccc1)CCNC(C)=O
InChIInChI=1S/C28H49N4O4P3/c1-24(33)29-12-20-37(21-13-30-25(2)34)16-8-18-39(28-10-6-5-7-11-28)19-9-17-38(22-14-31-26(3)35)23-15-32-27(4)36/h5-7,10-11H,8-9,12-23H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36)
InChIKeyFHFZOYNDWKLGOD-UHFFFAOYSA-N
XLogP3.08
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500598.65
LogP ≤ 53.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide (CID 58654513) is N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide is CC(=O)NCCP(CCCP(CCCP(CCNC(C)=O)CCNC(C)=O)c1ccccc1)CCNC(C)=O.
What is the InChIKey of N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide?
The InChIKey is FHFZOYNDWKLGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49N4O4P3/c1-24(33)29-12-20-37(21-13-30-25(2)34)16-8-18-39(28-10-6-5-7-11-28)19-9-17-38(22-14-31-26(3)35)23-15-32-27(4)36/h5-7,10-11H,8-9,12-23H2,1-4H3,(H,29,33)(H,30,34)(H,31,35)(H,32,36).
What are the key properties of N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide?
N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide has a molecular weight of 598.65 g/mol, XLogP of 3.08, 21 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-acetamidoethyl-[3-[3-[bis(2-acetamidoethyl)phosphanyl]propyl-phenylphosphanyl]propyl]phosphanyl]ethyl]acetamide is sourced from PubChem (CID 58654513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).