2-dihexoxyphosphoryl-N,N-dipropylpropanamide

C21H44NO4P — CID 4983342

IUPAC2-dihexoxyphosphoryl-N,N-dipropylpropanamide
SMILESCCCCCCOP(=O)(OCCCCCC)C(C)C(=O)N(CCC)CCC
InChIInChI=1S/C21H44NO4P/c1-6-10-12-14-18-25-27(24,26-19-15-13-11-7-2)20(5)21(23)22(16-8-3)17-9-4/h20H,6-19H2,1-5H3
InChIKeySNHHKETXYDYLNN-UHFFFAOYSA-N
MW405.56 g/mol
LogP6.41
Rot. Bonds18

About 2-dihexoxyphosphoryl-N,N-dipropylpropanamide

2-dihexoxyphosphoryl-N,N-dipropylpropanamide (PubChem CID 4983342) has the molecular formula C21H44NO4P and a molecular weight of 405.56 g/mol. Its IUPAC name is 2-dihexoxyphosphoryl-N,N-dipropylpropanamide.

Molecular Properties

Compound Name2-dihexoxyphosphoryl-N,N-dipropylpropanamide
PubChem CID4983342
Molecular FormulaC21H44NO4P
Molecular Weight405.56 g/mol
Exact Mass405.30
IUPAC Name2-dihexoxyphosphoryl-N,N-dipropylpropanamide
SMILESCCCCCCOP(=O)(OCCCCCC)C(C)C(=O)N(CCC)CCC
InChIInChI=1S/C21H44NO4P/c1-6-10-12-14-18-25-27(24,26-19-15-13-11-7-2)20(5)21(23)22(16-8-3)17-9-4/h20H,6-19H2,1-5H3
InChIKeySNHHKETXYDYLNN-UHFFFAOYSA-N
XLogP6.41
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine
CID 169084703
N,N-dibutyl-2-[methyl(nonoxy)phosphoryl]acetamide
CID 71413026
calcium dotriacontyl phosphate
CID 164901019
dibutoxyphosphorylmethanediol
CID 87672065
calcium tetradecyl phosphate
CID 172742428
calcium;sodium;pentadecyl phosphate
CID 172731404
calcium hexadecyl phosphate
CID 15662538
N-decyl-N-(2-methoxyethyl)-2-methylpropanamide
CID 10039592
2-dibutoxyphosphoryl-N,N-dioctylacetamide
CID 118060028
1-[bis(1-hydroxyethyl)amino]ethanol;dioctyl hydrogen phosphate
CID 173390695
octatriacontyl dihydrogen phosphate
CID 140979287
decyl dodecyl hydrogen phosphate
CID 20810618

Frequently Asked Questions

What is the IUPAC name of 2-dihexoxyphosphoryl-N,N-dipropylpropanamide?
The IUPAC name of 2-dihexoxyphosphoryl-N,N-dipropylpropanamide (CID 4983342) is 2-dihexoxyphosphoryl-N,N-dipropylpropanamide.
What is the SMILES notation for 2-dihexoxyphosphoryl-N,N-dipropylpropanamide?
The canonical SMILES for 2-dihexoxyphosphoryl-N,N-dipropylpropanamide is CCCCCCOP(=O)(OCCCCCC)C(C)C(=O)N(CCC)CCC.
What is the InChIKey of 2-dihexoxyphosphoryl-N,N-dipropylpropanamide?
The InChIKey is SNHHKETXYDYLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44NO4P/c1-6-10-12-14-18-25-27(24,26-19-15-13-11-7-2)20(5)21(23)22(16-8-3)17-9-4/h20H,6-19H2,1-5H3.
What are the key properties of 2-dihexoxyphosphoryl-N,N-dipropylpropanamide?
2-dihexoxyphosphoryl-N,N-dipropylpropanamide has a molecular weight of 405.56 g/mol, XLogP of 6.41, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihexoxyphosphoryl-N,N-dipropylpropanamide is sourced from PubChem (CID 4983342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).