N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide

C20H36NO4P — CID 54299779

IUPACN-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide
SMILESCOP(=O)(CC(C=C(C)CCC=C(C)CCC=C(C)C)NC(C)=O)OC
InChIInChI=1S/C20H36NO4P/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-20(21-19(5)22)15-26(23,24-6)25-7/h10,12,14,20H,8-9,11,13,15H2,1-7H3,(H,21,22)
InChIKeySDJRCOSYIVZJSI-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.40
Rot. Bonds12

About N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide

N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide (PubChem CID 54299779) has the molecular formula C20H36NO4P and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide.

Molecular Properties

Compound NameN-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide
PubChem CID54299779
Molecular FormulaC20H36NO4P
Molecular Weight385.49 g/mol
Exact Mass385.24
IUPAC NameN-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide
SMILESCOP(=O)(CC(C=C(C)CCC=C(C)CCC=C(C)C)NC(C)=O)OC
InChIInChI=1S/C20H36NO4P/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-20(21-19(5)22)15-26(23,24-6)25-7/h10,12,14,20H,8-9,11,13,15H2,1-7H3,(H,21,22)
InChIKeySDJRCOSYIVZJSI-UHFFFAOYSA-N
XLogP5.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
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

3-dimethoxyphosphoryl-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propanamide
CID 10362671
methyl (2R)-2-acetamido-3-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)propanoate
CID 54096848
(4E,8E)-3-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienoic acid
CID 19705901
[(1R,2Z,6Z)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl]phosphonic acid
CID 125183305
(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphoric acid
CID 174586289
1-dimethoxyphosphoryl-6-methylhept-5-en-2-one
CID 13267135
dimethyl 2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]propanedioate
CID 10597387
(5E,9E)-1,1-dimethoxy-6,10,14-trimethylpentadeca-5,9,13-trien-2-one
CID 23466447
5,9,13-trimethyltetradeca-4,8,12-trienoyl chloride
CID 54440908
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene;phosphono dihydrogen phosphate
CID 173057958
[(2E)-3,7-dimethylocta-2,6-dienyl] dimethyl phosphate
CID 12949387

Frequently Asked Questions

What is the IUPAC name of N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide?
The IUPAC name of N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide (CID 54299779) is N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide.
What is the SMILES notation for N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide?
The canonical SMILES for N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide is COP(=O)(CC(C=C(C)CCC=C(C)CCC=C(C)C)NC(C)=O)OC.
What is the InChIKey of N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide?
The InChIKey is SDJRCOSYIVZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36NO4P/c1-16(2)10-8-11-17(3)12-9-13-18(4)14-20(21-19(5)22)15-26(23,24-6)25-7/h10,12,14,20H,8-9,11,13,15H2,1-7H3,(H,21,22).
What are the key properties of N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide?
N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide has a molecular weight of 385.49 g/mol, XLogP of 5.40, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dimethoxyphosphoryl-4,8,12-trimethyltrideca-3,7,11-trien-2-yl)acetamide is sourced from PubChem (CID 54299779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).