9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate

C14H28NO5P — CID 142375192

IUPAC9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate
SMILESC=CC(=O)N(CC)CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C14H28NO5P/c1-3-14(16)15(4-2)12-10-8-6-5-7-9-11-13-20-21(17,18)19/h3H,1,4-13H2,2H3,(H2,17,18,19)
InChIKeySYACHTQMRNUSAC-UHFFFAOYSA-N
MW321.35 g/mol
LogP2.86
Rot. Bonds13

About 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate

9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate (PubChem CID 142375192) has the molecular formula C14H28NO5P and a molecular weight of 321.35 g/mol. Its IUPAC name is 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate.

Molecular Properties

Compound Name9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate
PubChem CID142375192
Molecular FormulaC14H28NO5P
Molecular Weight321.35 g/mol
Exact Mass321.17
IUPAC Name9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate
SMILESC=CC(=O)N(CC)CCCCCCCCCOP(=O)(O)O
InChIInChI=1S/C14H28NO5P/c1-3-14(16)15(4-2)12-10-8-6-5-7-9-11-13-20-21(17,18)19/h3H,1,4-13H2,2H3,(H2,17,18,19)
InChIKeySYACHTQMRNUSAC-UHFFFAOYSA-N
XLogP2.86
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[ethyl(prop-2-enoyl)amino]hexylphosphonic acid
CID 102525241
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
8-[2-methylidenebutanoyl(prop-2-enyl)amino]octyl dihydrogen phosphate
CID 142375188
N-[3-(diethylamino)propyl]-N-ethylprop-2-enamide
CID 102991803
N-ethyl-N-[2-[2-[2-[ethyl(prop-2-enoyl)amino]ethoxy]ethoxy]ethyl]prop-2-enamide
CID 101483878
12-(dihexadecylamino)dodecyl dihydrogen phosphate
CID 19435872
bis(amino prop-2-enoate);hexyl dihydrogen phosphate
CID 172853475
9-phosphonooxynonyl dihydrogen phosphate
CID 142711404
10-phosphonooxydecyl dihydrogen phosphate
CID 19764276
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103

Frequently Asked Questions

What is the IUPAC name of 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate?
The IUPAC name of 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate (CID 142375192) is 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate.
What is the SMILES notation for 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate?
The canonical SMILES for 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate is C=CC(=O)N(CC)CCCCCCCCCOP(=O)(O)O.
What is the InChIKey of 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate?
The InChIKey is SYACHTQMRNUSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28NO5P/c1-3-14(16)15(4-2)12-10-8-6-5-7-9-11-13-20-21(17,18)19/h3H,1,4-13H2,2H3,(H2,17,18,19).
What are the key properties of 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate?
9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate has a molecular weight of 321.35 g/mol, XLogP of 2.86, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[ethyl(prop-2-enoyl)amino]nonyl dihydrogen phosphate is sourced from PubChem (CID 142375192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).