N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide

C60H60N2O2P4 — CID 59163442

IUPACN,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide
SMILESCC(C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1)C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H60N2O2P4/c1-50(59(63)61(42-46-65(51-26-10-2-11-27-51)52-28-12-3-13-29-52)43-47-66(53-30-14-4-15-31-53)54-32-16-5-17-33-54)60(64)62(44-48-67(55-34-18-6-19-35-55)56-36-20-7-21-37-56)45-49-68(57-38-22-8-23-39-57)58-40-24-9-25-41-58/h2-41,50H,42-49H2,1H3
InChIKeyBRUSFXMPKZFPFV-UHFFFAOYSA-N
MW965.05 g/mol
LogP9.81
Rot. Bonds22

About N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide

N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide (PubChem CID 59163442) has the molecular formula C60H60N2O2P4 and a molecular weight of 965.05 g/mol. Its IUPAC name is N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide
PubChem CID59163442
Molecular FormulaC60H60N2O2P4
Molecular Weight965.05 g/mol
Exact Mass964.36
IUPAC NameN,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide
SMILESCC(C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1)C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H60N2O2P4/c1-50(59(63)61(42-46-65(51-26-10-2-11-27-51)52-28-12-3-13-29-52)43-47-66(53-30-14-4-15-31-53)54-32-16-5-17-33-54)60(64)62(44-48-67(55-34-18-6-19-35-55)56-36-20-7-21-37-56)45-49-68(57-38-22-8-23-39-57)58-40-24-9-25-41-58/h2-41,50H,42-49H2,1H3
InChIKeyBRUSFXMPKZFPFV-UHFFFAOYSA-N
XLogP9.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500965.05
LogP ≤ 59.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-bis(2-diphenylphosphanylethyl)butanediamide
CID 88556678
tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate
CID 148691344
2-diphenylphosphanylethyl(diphenyl)phosphane;palladium;bis(2,2,2-trifluoroacetic acid)
CID 134991896
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
(2S)-3-diphenylphosphanyl-2-methylpropan-1-ol
CID 101090022
CID 13086823
CID 13086823
CID 11999490
CID 11999490
N-benzyl-2-diphenylphosphanyl-N-(2-diphenylphosphanylethyl)ethanamine
CID 12029609
bis(2-diphenylphosphanylethyl(diphenyl)phosphane);gold(1+);bromide
CID 173374421
3-diphenylphosphanylpropyl acetate
CID 57133096
8-diphenylphosphanyloctanoic acid
CID 20679688
10-diphenylphosphanyldecanoic acid
CID 71402645

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide?
The IUPAC name of N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide (CID 59163442) is N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide.
What is the SMILES notation for N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide?
The canonical SMILES for N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide is CC(C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1)C(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide?
The InChIKey is BRUSFXMPKZFPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H60N2O2P4/c1-50(59(63)61(42-46-65(51-26-10-2-11-27-51)52-28-12-3-13-29-52)43-47-66(53-30-14-4-15-31-53)54-32-16-5-17-33-54)60(64)62(44-48-67(55-34-18-6-19-35-55)56-36-20-7-21-37-56)45-49-68(57-38-22-8-23-39-57)58-40-24-9-25-41-58/h2-41,50H,42-49H2,1H3.
What are the key properties of N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide?
N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide has a molecular weight of 965.05 g/mol, XLogP of 9.81, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide is sourced from PubChem (CID 59163442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).