N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide

C50H104N4O2 — CID 175423040

IUPACN-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(CC)CC
InChIInChI=1S/C29H60N2O.C21H44N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31(5-2)6-3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-28H2,1-3H3,(H,30,32);4-20H2,1-3H3,(H,22,24)
InChIKeyLSQQFXRTSFLKME-UHFFFAOYSA-N
MW793.41 g/mol
LogP14.19
Rot. Bonds44

About N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide

N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide (PubChem CID 175423040) has the molecular formula C50H104N4O2 and a molecular weight of 793.41 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
PubChem CID175423040
Molecular FormulaC50H104N4O2
Molecular Weight793.41 g/mol
Exact Mass792.82
IUPAC NameN-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(CC)CC
InChIInChI=1S/C29H60N2O.C21H44N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31(5-2)6-3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-28H2,1-3H3,(H,30,32);4-20H2,1-3H3,(H,22,24)
InChIKeyLSQQFXRTSFLKME-UHFFFAOYSA-N
XLogP14.19
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds44
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.41
LogP ≤ 514.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[3-[ethyl-[3-(octanoylamino)propyl]amino]propyl]octanamide
CID 102116497
tris(N-[3-(diethylamino)propyl]dodecanamide);phosphoric acid
CID 173139559
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
N-[3-[3-[bis[3-(tetradecanoylamino)propyl]amino]propyl-[3-(tetradecanoylamino)propyl]amino]propyl]tetradecanamide
CID 88929141
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[3-(dimethylamino)propyl]octadecanamide;nitric acid
CID 71346654
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
12-[3-hydroxypropyl-[12-(nonylamino)-12-oxododecyl]amino]-N-nonyldodecanamide
CID 142490959

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide?
The IUPAC name of N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide (CID 175423040) is N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(CC)CC.
What is the InChIKey of N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide?
The InChIKey is LSQQFXRTSFLKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60N2O.C21H44N2O/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-29(32)30-27-25-28-31(5-2)6-3;1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)22-19-17-20-23(2)3/h4-28H2,1-3H3,(H,30,32);4-20H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide?
N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide has a molecular weight of 793.41 g/mol, XLogP of 14.19, 44 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]docosanamide;N-[3-(dimethylamino)propyl]hexadecanamide is sourced from PubChem (CID 175423040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).