N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide

C35H42N4O4P2 — CID 58708343

IUPACN-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide
SMILESNCCCN(CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1)CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H42N4O4P2/c36-22-13-25-39(26-23-37-34(40)28-44(42,30-14-5-1-6-15-30)31-16-7-2-8-17-31)27-24-38-35(41)29-45(43,32-18-9-3-10-19-32)33-20-11-4-12-21-33/h1-12,14-21H,13,22-29,36H2,(H,37,40)(H,38,41)
InChIKeyPFQSKVKMSVNOMT-UHFFFAOYSA-N
MW644.69 g/mol
LogP2.90
Rot. Bonds17

About N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide

N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide (PubChem CID 58708343) has the molecular formula C35H42N4O4P2 and a molecular weight of 644.69 g/mol. Its IUPAC name is N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide.

Molecular Properties

Compound NameN-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide
PubChem CID58708343
Molecular FormulaC35H42N4O4P2
Molecular Weight644.69 g/mol
Exact Mass644.27
IUPAC NameN-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide
SMILESNCCCN(CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1)CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H42N4O4P2/c36-22-13-25-39(26-23-37-34(40)28-44(42,30-14-5-1-6-15-30)31-16-7-2-8-17-31)27-24-38-35(41)29-45(43,32-18-9-3-10-19-32)33-20-11-4-12-21-33/h1-12,14-21H,13,22-29,36H2,(H,37,40)(H,38,41)
InChIKeyPFQSKVKMSVNOMT-UHFFFAOYSA-N
XLogP2.90
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500644.69
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide?
The IUPAC name of N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide (CID 58708343) is N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide.
What is the SMILES notation for N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide?
The canonical SMILES for N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide is NCCCN(CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1)CCNC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide?
The InChIKey is PFQSKVKMSVNOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N4O4P2/c36-22-13-25-39(26-23-37-34(40)28-44(42,30-14-5-1-6-15-30)31-16-7-2-8-17-31)27-24-38-35(41)29-45(43,32-18-9-3-10-19-32)33-20-11-4-12-21-33/h1-12,14-21H,13,22-29,36H2,(H,37,40)(H,38,41).
What are the key properties of N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide?
N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide has a molecular weight of 644.69 g/mol, XLogP of 2.90, 17 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-aminopropyl-[2-[(2-diphenylphosphorylacetyl)amino]ethyl]amino]ethyl]-2-diphenylphosphorylacetamide is sourced from PubChem (CID 58708343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).