N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide

C37H59N2O3P — CID 155903097

IUPACN,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide
SMILESCCCCN(CCCC)C(=O)CCCCCCC(C(=O)N(CCCC)CCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H59N2O3P/c1-5-9-29-38(30-10-6-2)36(40)28-22-14-13-21-27-35(37(41)39(31-11-7-3)32-12-8-4)43(42,33-23-17-15-18-24-33)34-25-19-16-20-26-34/h15-20,23-26,35H,5-14,21-22,27-32H2,1-4H3
InChIKeyHBMNHSPJYPGKLV-UHFFFAOYSA-N
MW610.86 g/mol
LogP8.57
Rot. Bonds23

About N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide

N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide (PubChem CID 155903097) has the molecular formula C37H59N2O3P and a molecular weight of 610.86 g/mol. Its IUPAC name is N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide.

Molecular Properties

Compound NameN,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide
PubChem CID155903097
Molecular FormulaC37H59N2O3P
Molecular Weight610.86 g/mol
Exact Mass610.43
IUPAC NameN,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide
SMILESCCCCN(CCCC)C(=O)CCCCCCC(C(=O)N(CCCC)CCCC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H59N2O3P/c1-5-9-29-38(30-10-6-2)36(40)28-22-14-13-21-27-35(37(41)39(31-11-7-3)32-12-8-4)43(42,33-23-17-15-18-24-33)34-25-19-16-20-26-34/h15-20,23-26,35H,5-14,21-22,27-32H2,1-4H3
InChIKeyHBMNHSPJYPGKLV-UHFFFAOYSA-N
XLogP8.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.86
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
1-(diphenylphosphoryl)-N,N-diethylcyclobutanecarboxamide
CID 1046768
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-dibutyl-1-(diphenylphosphoryl)cyclobutanecarboxamide
CID 1909338
1-(diphenylphosphoryl)-N,N-diethylcyclopropanecarboxamide
CID 698851
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
Di-phenyl(diethylcarbamoylbenzyl)phosphine oxide
CID 14897370
[2-[Bis(2-methylpropyl)amino]-2-oxo-1-phenylethyl]-octyl-oxophosphanium
CID 53719199
N,N-Dibutyl-2-[octyl(phenyl)phosphoryl]acetamide
CID 13972025
1,7-Bis(dibutylcarbamoyl)-1,7-bis(diphenylphosphinyl)heptane
CID 14897373

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide?
The IUPAC name of N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide (CID 155903097) is N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide.
What is the SMILES notation for N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide?
The canonical SMILES for N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide is CCCCN(CCCC)C(=O)CCCCCCC(C(=O)N(CCCC)CCCC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide?
The InChIKey is HBMNHSPJYPGKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H59N2O3P/c1-5-9-29-38(30-10-6-2)36(40)28-22-14-13-21-27-35(37(41)39(31-11-7-3)32-12-8-4)43(42,33-23-17-15-18-24-33)34-25-19-16-20-26-34/h15-20,23-26,35H,5-14,21-22,27-32H2,1-4H3.
What are the key properties of N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide?
N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide has a molecular weight of 610.86 g/mol, XLogP of 8.57, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabutyl-2-diphenylphosphorylnonanediamide is sourced from PubChem (CID 155903097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).