3-(dodecanoylamino)propoxy dihydrogen phosphate

C15H32NO6P — CID 175895474

IUPAC3-(dodecanoylamino)propoxy dihydrogen phosphate
SMILESCCCCCCCCCCCC(=O)NCCCOOP(=O)(O)O
InChIInChI=1S/C15H32NO6P/c1-2-3-4-5-6-7-8-9-10-12-15(17)16-13-11-14-21-22-23(18,19)20/h2-14H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyVMISSCSYEAMWSD-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.45
Rot. Bonds16

About 3-(dodecanoylamino)propoxy dihydrogen phosphate

3-(dodecanoylamino)propoxy dihydrogen phosphate (PubChem CID 175895474) has the molecular formula C15H32NO6P and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(dodecanoylamino)propoxy dihydrogen phosphate.

Molecular Properties

Compound Name3-(dodecanoylamino)propoxy dihydrogen phosphate
PubChem CID175895474
Molecular FormulaC15H32NO6P
Molecular Weight353.40 g/mol
Exact Mass353.20
IUPAC Name3-(dodecanoylamino)propoxy dihydrogen phosphate
SMILESCCCCCCCCCCCC(=O)NCCCOOP(=O)(O)O
InChIInChI=1S/C15H32NO6P/c1-2-3-4-5-6-7-8-9-10-12-15(17)16-13-11-14-21-22-23(18,19)20/h2-14H2,1H3,(H,16,17)(H2,18,19,20)
InChIKeyVMISSCSYEAMWSD-UHFFFAOYSA-N
XLogP3.45
TPSA105.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[8-(heptanoylamino)octyl]heptanamide
CID 3252783
N-octadecyloctanamide
CID 5161729
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217
N-pentylicosanamide
CID 139961886

Frequently Asked Questions

What is the IUPAC name of 3-(dodecanoylamino)propoxy dihydrogen phosphate?
The IUPAC name of 3-(dodecanoylamino)propoxy dihydrogen phosphate (CID 175895474) is 3-(dodecanoylamino)propoxy dihydrogen phosphate.
What is the SMILES notation for 3-(dodecanoylamino)propoxy dihydrogen phosphate?
The canonical SMILES for 3-(dodecanoylamino)propoxy dihydrogen phosphate is CCCCCCCCCCCC(=O)NCCCOOP(=O)(O)O.
What is the InChIKey of 3-(dodecanoylamino)propoxy dihydrogen phosphate?
The InChIKey is VMISSCSYEAMWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32NO6P/c1-2-3-4-5-6-7-8-9-10-12-15(17)16-13-11-14-21-22-23(18,19)20/h2-14H2,1H3,(H,16,17)(H2,18,19,20).
What are the key properties of 3-(dodecanoylamino)propoxy dihydrogen phosphate?
3-(dodecanoylamino)propoxy dihydrogen phosphate has a molecular weight of 353.40 g/mol, XLogP of 3.45, 16 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dodecanoylamino)propoxy dihydrogen phosphate is sourced from PubChem (CID 175895474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).