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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Related Compounds

CID 796967
CID 796967
CID 131725233
CID 131725233
CID 86087456
CID 86087456
CID 154585241
CID 154585241
CID 154585283
CID 154585283
CID 4103286
CID 4103286
CID 19906205
CID 19906205
CID 23387096
CID 23387096
CID 54044573
CID 54044573
CID 54380321
CID 54380321
CID 57195628
CID 57195628
CID 89191881
CID 89191881

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).