6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate

C14H29N2O7P — CID 118012875

IUPAC6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
SMILESCOCCNC(=O)CCCC(=O)NCCCCCCOP(=O)(O)O
InChIInChI=1S/C14H29N2O7P/c1-22-12-10-16-14(18)8-6-7-13(17)15-9-4-2-3-5-11-23-24(19,20)21/h2-12H2,1H3,(H,15,17)(H,16,18)(H2,19,20,21)
InChIKeyYYEHAUYKOFUTDQ-UHFFFAOYSA-N
MW368.37 g/mol
LogP0.71
Rot. Bonds15

About 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate

6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate (PubChem CID 118012875) has the molecular formula C14H29N2O7P and a molecular weight of 368.37 g/mol. Its IUPAC name is 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate.

Molecular Properties

Compound Name6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
PubChem CID118012875
Molecular FormulaC14H29N2O7P
Molecular Weight368.37 g/mol
Exact Mass368.17
IUPAC Name6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate
SMILESCOCCNC(=O)CCCC(=O)NCCCCCCOP(=O)(O)O
InChIInChI=1S/C14H29N2O7P/c1-22-12-10-16-14(18)8-6-7-13(17)15-9-4-2-3-5-11-23-24(19,20)21/h2-12H2,1H3,(H,15,17)(H,16,18)(H2,19,20,21)
InChIKeyYYEHAUYKOFUTDQ-UHFFFAOYSA-N
XLogP0.71
TPSA134.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 50.71
H-Bond Donors ≤ 54
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

5-methoxy-N-(2-methoxyethyl)pentanamide
CID 58281484
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
methyl 5-(4-methoxybutylamino)-5-oxopentanoate
CID 87688310
2-(4-hydroxybutanoylamino)ethyl dihydrogen phosphate
CID 87671485
methyl-[6-(pentacosanoylamino)hexoxy]phosphinic acid
CID 167537809
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
methyl 5-(4-oxopentanoylamino)pentyl hydrogen phosphate
CID 140965700
2-methoxy-N-(6-methoxyhexyl)acetamide
CID 177338017
2-(undec-10-enoylamino)ethyl dihydrogen phosphate
CID 10380486
5-(5-methoxypentanoylamino)pentanoic acid
CID 119234359
[31-(hydroxyamino)-31-oxohentriacontyl] dihydrogen phosphate
CID 87683294
[20-(hydroxyamino)-20-oxoicosyl] dihydrogen phosphate
CID 87682987

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate?
The IUPAC name of 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate (CID 118012875) is 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate.
What is the SMILES notation for 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate?
The canonical SMILES for 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate is COCCNC(=O)CCCC(=O)NCCCCCCOP(=O)(O)O.
What is the InChIKey of 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate?
The InChIKey is YYEHAUYKOFUTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N2O7P/c1-22-12-10-16-14(18)8-6-7-13(17)15-9-4-2-3-5-11-23-24(19,20)21/h2-12H2,1H3,(H,15,17)(H,16,18)(H2,19,20,21).
What are the key properties of 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate?
6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate has a molecular weight of 368.37 g/mol, XLogP of 0.71, 15 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(2-methoxyethylamino)-5-oxopentanoyl]amino]hexyl dihydrogen phosphate is sourced from PubChem (CID 118012875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).