N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide

C26H54N4O2 — CID 54060083

IUPACN,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide
SMILESCCCCCCCCCCCCC(CC(=O)NCCCN(C)C)C(=O)NCCCN(C)C
InChIInChI=1S/C26H54N4O2/c1-6-7-8-9-10-11-12-13-14-15-18-24(26(32)28-20-17-22-30(4)5)23-25(31)27-19-16-21-29(2)3/h24H,6-23H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyLZBFGXKXIALLDS-UHFFFAOYSA-N
MW454.74 g/mol
LogP4.44
Rot. Bonds22

About N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide

N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide (PubChem CID 54060083) has the molecular formula C26H54N4O2 and a molecular weight of 454.74 g/mol. Its IUPAC name is N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide.

Molecular Properties

Compound NameN,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide
PubChem CID54060083
Molecular FormulaC26H54N4O2
Molecular Weight454.74 g/mol
Exact Mass454.42
IUPAC NameN,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide
SMILESCCCCCCCCCCCCC(CC(=O)NCCCN(C)C)C(=O)NCCCN(C)C
InChIInChI=1S/C26H54N4O2/c1-6-7-8-9-10-11-12-13-14-15-18-24(26(32)28-20-17-22-30(4)5)23-25(31)27-19-16-21-29(2)3/h24H,6-23H2,1-5H3,(H,27,31)(H,28,32)
InChIKeyLZBFGXKXIALLDS-UHFFFAOYSA-N
XLogP4.44
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.74
LogP ≤ 54.44
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]-2-octadecylicos-14-enamide
CID 123864204
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
N-octadecyl-2-octylicosanamide
CID 154636535
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
3-butyl-N-[2-(dimethylamino)ethyl]octanamide
CID 88999210
3-(3-sulfanylpropylcarbamoyl)pentadecanoic acid
CID 139947020
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
N-[3-(dimethylamino)propyl]-3-(furan-2-yl)nonanamide
CID 4972250
[5-[3-[4-(dimethylamino)butanoylamino]propylamino]-5-oxopentyl] 2-hexyldecanoate
CID 170643425
N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
N-[3-(dimethylamino)propyl]-12-hydroxyoctadec-9-enamide
CID 53427633

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide?
The IUPAC name of N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide (CID 54060083) is N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide.
What is the SMILES notation for N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide?
The canonical SMILES for N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide is CCCCCCCCCCCCC(CC(=O)NCCCN(C)C)C(=O)NCCCN(C)C.
What is the InChIKey of N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide?
The InChIKey is LZBFGXKXIALLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54N4O2/c1-6-7-8-9-10-11-12-13-14-15-18-24(26(32)28-20-17-22-30(4)5)23-25(31)27-19-16-21-29(2)3/h24H,6-23H2,1-5H3,(H,27,31)(H,28,32).
What are the key properties of N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide?
N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide has a molecular weight of 454.74 g/mol, XLogP of 4.44, 22 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[3-(dimethylamino)propyl]-2-dodecylbutanediamide is sourced from PubChem (CID 54060083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).