2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide

C24H42NO3P — CID 102456794

IUPAC2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
SMILESCCCCCCCCP(=O)(c1ccccc1)C(O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C24H42NO3P/c1-6-7-8-9-10-14-17-29(28,22-15-12-11-13-16-22)24(27)23(26)25(18-20(2)3)19-21(4)5/h11-13,15-16,20-21,24,27H,6-10,14,17-19H2,1-5H3
InChIKeyATVMBCGLLQKNCM-UHFFFAOYSA-N
MW423.58 g/mol
LogP5.49
Rot. Bonds14

About 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide

2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide (PubChem CID 102456794) has the molecular formula C24H42NO3P and a molecular weight of 423.58 g/mol. Its IUPAC name is 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
PubChem CID102456794
Molecular FormulaC24H42NO3P
Molecular Weight423.58 g/mol
Exact Mass423.29
IUPAC Name2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
SMILESCCCCCCCCP(=O)(c1ccccc1)C(O)C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C24H42NO3P/c1-6-7-8-9-10-14-17-29(28,22-15-12-11-13-16-22)24(27)23(26)25(18-20(2)3)19-21(4)5/h11-13,15-16,20-21,24,27H,6-10,14,17-19H2,1-5H3
InChIKeyATVMBCGLLQKNCM-UHFFFAOYSA-N
XLogP5.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.58
LogP ≤ 55.49
H-Bond Donors ≤ 51
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

[butyl(decan-2-yl)phosphoryl]benzene
CID 3575781
N,N-bis(2-methylpropyl)-2-phenylbutanamide
CID 4080662
N,N-bis(2-methylpropyl)-2-phenyl-2-phosphanyldecanamide
CID 67607946
3-amino-2-methyl-N,N-bis(2-methylpropyl)-3-phenylpropanamide;hydrochloride
CID 119669067
(2S)-2-amino-N,N-bis(2-methylpropyl)-2-phenylacetamide
CID 104897188
N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]octanamide
CID 42725504
N,N-dibutyl-1-diphenylphosphorylformamide
CID 15461320
phenoxy(undecyl)phosphinic acid
CID 87383274
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
(2,6-dimethylphenyl)-[dodecyl(phenyl)phosphoryl]methanone
CID 18514413
dioctyl-phenyl-sulfanylidene-λ5-phosphane
CID 54529232
didodecyl-methylidene-phenyl-λ5-phosphane
CID 139749154

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
The IUPAC name of 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide (CID 102456794) is 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide.
What is the SMILES notation for 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
The canonical SMILES for 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide is CCCCCCCCP(=O)(c1ccccc1)C(O)C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
The InChIKey is ATVMBCGLLQKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42NO3P/c1-6-7-8-9-10-14-17-29(28,22-15-12-11-13-16-22)24(27)23(26)25(18-20(2)3)19-21(4)5/h11-13,15-16,20-21,24,27H,6-10,14,17-19H2,1-5H3.
What are the key properties of 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide has a molecular weight of 423.58 g/mol, XLogP of 5.49, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide is sourced from PubChem (CID 102456794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).