N-[3-(dimethylamino)propyl]octadecanamide;nitric acid

C23H49N3O4 — CID 71346654

IUPACN-[3-(dimethylamino)propyl]octadecanamide;nitric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.O=[N+]([O-])O
InChIInChI=1S/C23H48N2O.HNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;2-1(3)4/h4-22H2,1-3H3,(H,24,26);(H,2,3,4)
InChIKeyILIWERAOUIKELH-UHFFFAOYSA-N
MW431.66 g/mol
LogP5.97
Rot. Bonds20

About N-[3-(dimethylamino)propyl]octadecanamide;nitric acid

N-[3-(dimethylamino)propyl]octadecanamide;nitric acid (PubChem CID 71346654) has the molecular formula C23H49N3O4 and a molecular weight of 431.66 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]octadecanamide;nitric acid.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]octadecanamide;nitric acid
PubChem CID71346654
Molecular FormulaC23H49N3O4
Molecular Weight431.66 g/mol
Exact Mass431.37
IUPAC NameN-[3-(dimethylamino)propyl]octadecanamide;nitric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.O=[N+]([O-])O
InChIInChI=1S/C23H48N2O.HNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;2-1(3)4/h4-22H2,1-3H3,(H,24,26);(H,2,3,4)
InChIKeyILIWERAOUIKELH-UHFFFAOYSA-N
XLogP5.97
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.66
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
CID 175423040
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
CID 140756261
CID 140756261
4-(dimethylamino)-N-[3-(dodecanoylamino)propyl]-N-methylbutan-1-amine oxide
CID 24798240
10-[3-(dimethylamino)propylamino]-10-oxodecanoic acid
CID 51038580
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]octadecanamide;nitric acid?
The IUPAC name of N-[3-(dimethylamino)propyl]octadecanamide;nitric acid (CID 71346654) is N-[3-(dimethylamino)propyl]octadecanamide;nitric acid.
What is the SMILES notation for N-[3-(dimethylamino)propyl]octadecanamide;nitric acid?
The canonical SMILES for N-[3-(dimethylamino)propyl]octadecanamide;nitric acid is CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.O=[N+]([O-])O.
What is the InChIKey of N-[3-(dimethylamino)propyl]octadecanamide;nitric acid?
The InChIKey is ILIWERAOUIKELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48N2O.HNO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;2-1(3)4/h4-22H2,1-3H3,(H,24,26);(H,2,3,4).
What are the key properties of N-[3-(dimethylamino)propyl]octadecanamide;nitric acid?
N-[3-(dimethylamino)propyl]octadecanamide;nitric acid has a molecular weight of 431.66 g/mol, XLogP of 5.97, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]octadecanamide;nitric acid is sourced from PubChem (CID 71346654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).