N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide

C62H122N6O7 — CID 158948752

IUPACN-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide
SMILESCCCCCCCCCCCCCC(=O)NCCCC(=O)CCC(=O)NCCCCCCCCN(C)C.CCCCCCCCCCCCCC(=O)NCCCC(=O)CCC(=O)NCCCCCCCC[N+](C)(C)[O-]
InChIInChI=1S/C31H61N3O4.C31H61N3O3/c1-4-5-6-7-8-9-10-11-12-15-18-23-30(36)33-27-21-22-29(35)24-25-31(37)32-26-19-16-13-14-17-20-28-34(2,3)38;1-4-5-6-7-8-9-10-11-12-15-18-23-30(36)33-27-21-22-29(35)24-25-31(37)32-26-19-16-13-14-17-20-28-34(2)3/h4-28H2,1-3H3,(H,32,37)(H,33,36);4-28H2,1-3H3,(H,32,37)(H,33,36)
InChIKeyJLDQQZBWQZLCAT-UHFFFAOYSA-N
MW1063.69 g/mol
LogP13.92
Rot. Bonds56

About N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide

N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide (PubChem CID 158948752) has the molecular formula C62H122N6O7 and a molecular weight of 1063.69 g/mol. Its IUPAC name is N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide.

Molecular Properties

Compound NameN-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide
PubChem CID158948752
Molecular FormulaC62H122N6O7
Molecular Weight1063.69 g/mol
Exact Mass1062.94
IUPAC NameN-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide
SMILESCCCCCCCCCCCCCC(=O)NCCCC(=O)CCC(=O)NCCCCCCCCN(C)C.CCCCCCCCCCCCCC(=O)NCCCC(=O)CCC(=O)NCCCCCCCC[N+](C)(C)[O-]
InChIInChI=1S/C31H61N3O4.C31H61N3O3/c1-4-5-6-7-8-9-10-11-12-15-18-23-30(36)33-27-21-22-29(35)24-25-31(37)32-26-19-16-13-14-17-20-28-34(2,3)38;1-4-5-6-7-8-9-10-11-12-15-18-23-30(36)33-27-21-22-29(35)24-25-31(37)32-26-19-16-13-14-17-20-28-34(2)3/h4-28H2,1-3H3,(H,32,37)(H,33,36);4-28H2,1-3H3,(H,32,37)(H,33,36)
InChIKeyJLDQQZBWQZLCAT-UHFFFAOYSA-N
XLogP13.92
TPSA176.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds56
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.69
LogP ≤ 513.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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N-[3-(dimethylamino)propyl]nonanamide
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4-(dimethylamino)-N-octadecylbutanamide
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N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
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18-(dimethylamino)-N-propyloctadecanamide
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N-[3-(dimethylamino)propyl]octadecanamide;nitric acid
CID 71346654
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
N-[3-(dimethylamino)propyl]tetradecanamide;phosphoric acid
CID 71587478
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CID 87400028

Frequently Asked Questions

What is the IUPAC name of N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide?
The IUPAC name of N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide (CID 158948752) is N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide.
What is the SMILES notation for N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide?
The canonical SMILES for N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide is CCCCCCCCCCCCCC(=O)NCCCC(=O)CCC(=O)NCCCCCCCCN(C)C.CCCCCCCCCCCCCC(=O)NCCCC(=O)CCC(=O)NCCCCCCCC[N+](C)(C)[O-].
What is the InChIKey of N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide?
The InChIKey is JLDQQZBWQZLCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H61N3O4.C31H61N3O3/c1-4-5-6-7-8-9-10-11-12-15-18-23-30(36)33-27-21-22-29(35)24-25-31(37)32-26-19-16-13-14-17-20-28-34(2,3)38;1-4-5-6-7-8-9-10-11-12-15-18-23-30(36)33-27-21-22-29(35)24-25-31(37)32-26-19-16-13-14-17-20-28-34(2)3/h4-28H2,1-3H3,(H,32,37)(H,33,36);4-28H2,1-3H3,(H,32,37)(H,33,36).
What are the key properties of N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide?
N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide has a molecular weight of 1063.69 g/mol, XLogP of 13.92, 56 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[8-(dimethylamino)octylamino]-4,7-dioxoheptyl]tetradecanamide;N,N-dimethyl-8-[[4-oxo-7-(tetradecanoylamino)heptanoyl]amino]octan-1-amine oxide is sourced from PubChem (CID 158948752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).