(2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide

C24H50NO5P — CID 87197610

IUPAC(2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide
SMILESCCCCCCCCCCCCCCCCOCC(CCP(=O)(OC)OC)C(=O)NC
InChIInChI=1S/C24H50NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-22-23(24(26)25-2)19-21-31(27,28-3)29-4/h23H,5-22H2,1-4H3,(H,25,26)
InChIKeyAQYOZYJTFHIYFN-UHFFFAOYSA-N
MW463.64 g/mol
LogP6.72
Rot. Bonds23

About (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide

(2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide (PubChem CID 87197610) has the molecular formula C24H50NO5P and a molecular weight of 463.64 g/mol. Its IUPAC name is (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide.

Molecular Properties

Compound Name(2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide
PubChem CID87197610
Molecular FormulaC24H50NO5P
Molecular Weight463.64 g/mol
Exact Mass463.34
IUPAC Name(2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide
SMILESCCCCCCCCCCCCCCCCOCC(CCP(=O)(OC)OC)C(=O)NC
InChIInChI=1S/C24H50NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-22-23(24(26)25-2)19-21-31(27,28-3)29-4/h23H,5-22H2,1-4H3,(H,25,26)
InChIKeyAQYOZYJTFHIYFN-UHFFFAOYSA-N
XLogP6.72
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.64
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(butoxymethyl)-N-methylpentanamide
CID 140571341
N-ethyl-2-(hexoxymethyl)pentanamide
CID 140571314
[(3R)-4-hexadecoxy-3-methoxybutyl]phosphonic acid
CID 10364120
(4-diethoxyphosphoryl-1-hexadecoxybutan-2-yl) acetate
CID 11134766
1-dimethoxyphosphoryltridecan-3-ol
CID 10425403
3-[methoxy-(3-methoxy-4-octadecoxybutyl)phosphoryl]oxy-6-methylcyclohexane-1,2,4,5-tetrol
CID 58662993
2-ethyl-N-methyltetradecanamide
CID 161072731
[(2R)-3-(methylamino)-2-(octadecoxymethyl)-3-oxopropyl] N-(2-pyridin-1-ium-1-ylethyl)carbamate chloride
CID 67882255
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
1-[2-methoxy-4-[methoxy(methyl)phosphoryl]oxybutoxy]hexadecane
CID 57288612
[(3S)-4-hexadecoxy-3-(methylcarbamoyloxy)butyl]-[2-(trimethylazaniumyl)ethoxy]phosphinate
CID 46934717
2,3-didodecoxy-N-methylpropan-1-amine
CID 170032981

Frequently Asked Questions

What is the IUPAC name of (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide?
The IUPAC name of (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide (CID 87197610) is (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide.
What is the SMILES notation for (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide?
The canonical SMILES for (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide is CCCCCCCCCCCCCCCCOCC(CCP(=O)(OC)OC)C(=O)NC.
What is the InChIKey of (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide?
The InChIKey is AQYOZYJTFHIYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50NO5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-30-22-23(24(26)25-2)19-21-31(27,28-3)29-4/h23H,5-22H2,1-4H3,(H,25,26).
What are the key properties of (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide?
(2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide has a molecular weight of 463.64 g/mol, XLogP of 6.72, 23 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-dimethoxyphosphoryl-2-(hexadecoxymethyl)-N-methylbutanamide is sourced from PubChem (CID 87197610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).