N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide

C24H42NOP — CID 67607946

IUPACN,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide
SMILESCCCCCCCCC(P)(C(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/C24H42NOP/c1-6-7-8-9-10-14-17-24(27,22-15-12-11-13-16-22)23(26)25(18-20(2)3)19-21(4)5/h11-13,15-16,20-21H,6-10,14,17-19,27H2,1-5H3
InChIKeyBJZOAISOMLNCKV-UHFFFAOYSA-N
MW391.58 g/mol
LogP6.65
Rot. Bonds13

About N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide

N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide (PubChem CID 67607946) has the molecular formula C24H42NOP and a molecular weight of 391.58 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide
PubChem CID67607946
Molecular FormulaC24H42NOP
Molecular Weight391.58 g/mol
Exact Mass391.30
IUPAC NameN,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide
SMILESCCCCCCCCC(P)(C(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/C24H42NOP/c1-6-7-8-9-10-14-17-24(27,22-15-12-11-13-16-22)23(26)25(18-20(2)3)19-21(4)5/h11-13,15-16,20-21H,6-10,14,17-19,27H2,1-5H3
InChIKeyBJZOAISOMLNCKV-UHFFFAOYSA-N
XLogP6.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.58
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

2-phenyl-2-propan-2-yloctadecanoic acid
CID 159693537
2-nonyl-2-phenylpropanedioic acid
CID 70554602
2-ethyl-6-methyl-2-phenylheptanoic acid
CID 83158043
2-phenyl-2-propan-2-yloctanamide
CID 141169465
2-methyl-2-phenyldecanoic acid
CID 154177551
calcium;hydride;2-octyl-2-phenylpropanedioic acid
CID 174969095
calcium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174967829
2-methyl-2-phenylnonadecanoic acid
CID 140988291
magnesium;2-hexyl-2-phenylpropanedioic acid;hydride
CID 174968694
barium(2+);2-decyl-2-phenylpropanedioic acid;hydride
CID 174968847
2-benzyl-8-methyl-2-phenylnonanoic acid
CID 154389519
6-methyl-2,2-diphenylheptanoic acid
CID 141362939

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide (CID 67607946) is N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide is CCCCCCCCC(P)(C(=O)N(CC(C)C)CC(C)C)c1ccccc1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide?
The InChIKey is BJZOAISOMLNCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42NOP/c1-6-7-8-9-10-14-17-24(27,22-15-12-11-13-16-22)23(26)25(18-20(2)3)19-21(4)5/h11-13,15-16,20-21H,6-10,14,17-19,27H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide?
N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide has a molecular weight of 391.58 g/mol, XLogP of 6.65, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide is sourced from PubChem (CID 67607946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).