3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide

C20H36NO4P — CID 10362671

IUPAC3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
SMILESCOP(=O)(CCC(=O)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C20H36NO4P/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-15-21-20(22)14-16-26(23,24-5)25-6/h9,11,13H,7-8,10,12,14-16H2,1-6H3,(H,21,22)/b18-11+,19-13+
InChIKeyKICAPWGUVBLTJW-NWLVNBMCSA-N
MW385.49 g/mol
LogP5.40
Rot. Bonds13

About 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide

3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide (PubChem CID 10362671) has the molecular formula C20H36NO4P and a molecular weight of 385.49 g/mol. Its IUPAC name is 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide.

Molecular Properties

Compound Name3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
PubChem CID10362671
Molecular FormulaC20H36NO4P
Molecular Weight385.49 g/mol
Exact Mass385.24
IUPAC Name3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
SMILESCOP(=O)(CCC(=O)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C20H36NO4P/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-15-21-20(22)14-16-26(23,24-5)25-6/h9,11,13H,7-8,10,12,14-16H2,1-6H3,(H,21,22)/b18-11+,19-13+
InChIKeyKICAPWGUVBLTJW-NWLVNBMCSA-N
XLogP5.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E)-3,7-dimethylocta-2,6-dienyl]butanamide
CID 59793391
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopentanamide
CID 118119915
methyl N-[(2E)-3,7-dimethylocta-2,6-dienyl]carbamate
CID 10656136
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]acetamide
CID 14993064
N,N'-bis[(2E)-3,7-dimethylocta-2,6-dienyl]oxamide
CID 59266741
N,N'-bis(3,7-dimethylocta-2,6-dienyl)but-2-enediamide
CID 71441350
1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
CID 13267135
2-pyridin-4-yl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]acetamide
CID 14834790
[methoxy-(3,7,11-trimethyldodeca-2,6,10-trienylamino)phosphoryl]methylphosphonic acid
CID 54016219
[methoxy-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]phosphoryl]methylphosphonic acid
CID 19108351
N'-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methyloxamide;methane;methyl 2-[[(2E)-3,7-dimethylocta-2,6-dienyl]amino]-2-oxoacetate
CID 158673741
N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide
CID 54299779

Frequently Asked Questions

What is the IUPAC name of 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
The IUPAC name of 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide (CID 10362671) is 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide.
What is the SMILES notation for 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
The canonical SMILES for 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide is COP(=O)(CCC(=O)NC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OC.
What is the InChIKey of 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
The InChIKey is KICAPWGUVBLTJW-NWLVNBMCSA-N. The full InChI is InChI=1S/C20H36NO4P/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-15-21-20(22)14-16-26(23,24-5)25-6/h9,11,13H,7-8,10,12,14-16H2,1-6H3,(H,21,22)/b18-11+,19-13+.
What are the key properties of 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide?
3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide has a molecular weight of 385.49 g/mol, XLogP of 5.40, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide is sourced from PubChem (CID 10362671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).