N',N'-bis(2-diphenylphosphanylethyl)butanediamide

C32H34N2O2P2 — CID 88556678

IUPACN',N'-bis(2-diphenylphosphanylethyl)butanediamide
SMILESNC(=O)CCC(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34N2O2P2/c33-31(35)21-22-32(36)34(23-25-37(27-13-5-1-6-14-27)28-15-7-2-8-16-28)24-26-38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2,(H2,33,35)
InChIKeyPYIABWYJRMEZSR-UHFFFAOYSA-N
MW540.58 g/mol
LogP4.35
Rot. Bonds13

About N',N'-bis(2-diphenylphosphanylethyl)butanediamide

N',N'-bis(2-diphenylphosphanylethyl)butanediamide (PubChem CID 88556678) has the molecular formula C32H34N2O2P2 and a molecular weight of 540.58 g/mol. Its IUPAC name is N',N'-bis(2-diphenylphosphanylethyl)butanediamide.

Molecular Properties

Compound NameN',N'-bis(2-diphenylphosphanylethyl)butanediamide
PubChem CID88556678
Molecular FormulaC32H34N2O2P2
Molecular Weight540.58 g/mol
Exact Mass540.21
IUPAC NameN',N'-bis(2-diphenylphosphanylethyl)butanediamide
SMILESNC(=O)CCC(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H34N2O2P2/c33-31(35)21-22-32(36)34(23-25-37(27-13-5-1-6-14-27)28-15-7-2-8-16-28)24-26-38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2,(H2,33,35)
InChIKeyPYIABWYJRMEZSR-UHFFFAOYSA-N
XLogP4.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-phenylethyl)butanediamide
CID 70184693
N',N'-dibenzylbutanediamide
CID 101024490
N,N,N',N'-tetrakis(2-diphenylphosphanylethyl)-2-methylpropanediamide
CID 59163442
tert-butyl N-[2-[bis(2-diphenylphosphanylethyl)amino]-2-oxoethyl]carbamate
CID 148691344
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
5-[(3-amino-3-oxopropyl)-benzylamino]-5-oxopentanoic acid
CID 28642443
2-diphenylphosphanylethyl(diphenyl)phosphane;palladium;bis(2,2,2-trifluoroacetic acid)
CID 134991896
8-diphenylphosphanyloctanoic acid
CID 20679688
10-diphenylphosphanyldecanoic acid
CID 71402645
N-(3-amino-3-oxopropyl)-N-benzyl-5-bromopentanamide
CID 107909271
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-diphenylphosphanylethyl)butanediamide?
The IUPAC name of N',N'-bis(2-diphenylphosphanylethyl)butanediamide (CID 88556678) is N',N'-bis(2-diphenylphosphanylethyl)butanediamide.
What is the SMILES notation for N',N'-bis(2-diphenylphosphanylethyl)butanediamide?
The canonical SMILES for N',N'-bis(2-diphenylphosphanylethyl)butanediamide is NC(=O)CCC(=O)N(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1.
What is the InChIKey of N',N'-bis(2-diphenylphosphanylethyl)butanediamide?
The InChIKey is PYIABWYJRMEZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O2P2/c33-31(35)21-22-32(36)34(23-25-37(27-13-5-1-6-14-27)28-15-7-2-8-16-28)24-26-38(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-20H,21-26H2,(H2,33,35).
What are the key properties of N',N'-bis(2-diphenylphosphanylethyl)butanediamide?
N',N'-bis(2-diphenylphosphanylethyl)butanediamide has a molecular weight of 540.58 g/mol, XLogP of 4.35, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-diphenylphosphanylethyl)butanediamide is sourced from PubChem (CID 88556678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).