3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid

C19H32NO4P — CID 10172513

IUPAC3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid
SMILESCCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1
InChIInChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24)
InChIKeyNSEVTFLGGHULPD-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.28
Rot. Bonds14

About 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid

3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid (PubChem CID 10172513) has the molecular formula C19H32NO4P and a molecular weight of 369.44 g/mol. Its IUPAC name is 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid.

Molecular Properties

Compound Name3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid
PubChem CID10172513
Molecular FormulaC19H32NO4P
Molecular Weight369.44 g/mol
Exact Mass369.21
IUPAC Name3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid
SMILESCCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1
InChIInChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24)
InChIKeyNSEVTFLGGHULPD-UHFFFAOYSA-N
XLogP4.28
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1-[4-(butylaminomethyl)phenyl]octan-1-one
CID 142267372
3-[[4-(octoxymethyl)phenyl]methylamino]propylphosphonic acid
CID 10287092
4-[(heptylamino)methyl]-N-methylbenzamide
CID 43114052
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-hydroxyethyl-[3-[(4-nonylphenyl)methylamino]propyl]phosphinic acid
CID 59691756
1-(4-propylphenyl)decan-1-one
CID 65449493
3-[(3-methoxy-4-octoxyphenyl)methylamino]propylphosphonic acid
CID 10287343
1-[4-(aminomethyl)phenyl]undecan-1-one
CID 116548206
4-[(2-phosphonoethylamino)methyl]benzoic acid
CID 154020772
3-[[4-[5-[(Z)-2-phenylhept-1-enyl]-1,3,4-oxadiazol-2-yl]phenyl]methylamino]propylphosphonic acid
CID 118078779
(4-nonanoylphenyl) dihydrogen phosphate
CID 171472641

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid?
The IUPAC name of 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid (CID 10172513) is 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid.
What is the SMILES notation for 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid?
The canonical SMILES for 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid is CCCCCCCCC(=O)c1ccc(CNCCCP(=O)(O)O)cc1.
What is the InChIKey of 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid?
The InChIKey is NSEVTFLGGHULPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32NO4P/c1-2-3-4-5-6-7-9-19(21)18-12-10-17(11-13-18)16-20-14-8-15-25(22,23)24/h10-13,20H,2-9,14-16H2,1H3,(H2,22,23,24).
What are the key properties of 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid?
3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid has a molecular weight of 369.44 g/mol, XLogP of 4.28, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nonanoylphenyl)methylamino]propylphosphonic acid is sourced from PubChem (CID 10172513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).