N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide

C65H130N6O7 — CID 170530500

IUPACN-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)C(C(=O)NCCCOCCOCCOCCNC(=O)C(C(C)C)N(CCCN(C)C)C(=O)CCCCCCCCCCCCCCCCC)C(C)C
InChIInChI=1S/C65H130N6O7/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44-60(72)70(50-42-48-68(7)8)62(58(3)4)64(74)66-46-41-52-76-54-56-78-57-55-77-53-47-67-65(75)63(59(5)6)71(51-43-49-69(9)10)61(73)45-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h58-59,62-63H,11-57H2,1-10H3,(H,66,74)(H,67,75)
InChIKeyFWSDYZBTMXLYPE-UHFFFAOYSA-N
MW1107.79 g/mol
LogP13.79
Rot. Bonds59

About N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide

N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide (PubChem CID 170530500) has the molecular formula C65H130N6O7 and a molecular weight of 1107.79 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide
PubChem CID170530500
Molecular FormulaC65H130N6O7
Molecular Weight1107.79 g/mol
Exact Mass1107.00
IUPAC NameN-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)C(C(=O)NCCCOCCOCCOCCNC(=O)C(C(C)C)N(CCCN(C)C)C(=O)CCCCCCCCCCCCCCCCC)C(C)C
InChIInChI=1S/C65H130N6O7/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44-60(72)70(50-42-48-68(7)8)62(58(3)4)64(74)66-46-41-52-76-54-56-78-57-55-77-53-47-67-65(75)63(59(5)6)71(51-43-49-69(9)10)61(73)45-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h58-59,62-63H,11-57H2,1-10H3,(H,66,74)(H,67,75)
InChIKeyFWSDYZBTMXLYPE-UHFFFAOYSA-N
XLogP13.79
TPSA132.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds59
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.79
LogP ≤ 513.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-[1-[6-[[2-[2-(dimethylamino)ethyl-hexadecanoylamino]-3-methylbutanoyl]amino]hexylamino]-3-methyl-1-oxobutan-2-yl]hexadecanamide
CID 170530512
N-[3-methyl-1-[2-[2-[2-[[3-methyl-2-[3-morpholin-4-ylpropyl(tetradecanoyl)amino]butanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxobutan-2-yl]-N-(3-morpholin-4-ylpropyl)tetradecanamide
CID 167208150
N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide
CID 23503512
(9Z,12Z)-N-[3-(dimethylamino)propyl]-N-[1-[2-[2-[[2-[3-(dimethylamino)propyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-methylbutanoyl]amino]ethyl-methylamino]ethylamino]-3-methyl-1-oxobutan-2-yl]octadeca-9,12-dienamide
CID 176754736
N-[1-[2-[bis[2-[[2-[dodecanoyl(2-hydroxyethyl)amino]-3-methylbutanoyl]amino]ethyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-(2-hydroxyethyl)dodecanamide
CID 170099115
benzyl 4-[2-[2-[[3-methyl-2-[4-[[3-methyl-2-[[5-[[3-methyl-1-[[4-[[3-methyl-1-[[4-[[3-methyl-1-oxo-1-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-(4-oxo-4-phenylmethoxybutoxy)ethoxy]ethyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[2-methyl-9-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4,9-dioxononan-3-yl]-[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[[3-methyl-1-[[4-[[3-methyl-1-(octylamino)-1-oxobutan-2-yl]-octylamino]-4-oxobutyl]amino]-1-oxobutan-2-yl]-[4-[(2-methyl-4-oxotridecan-3-yl)-octylamino]-4-oxobutyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-5-oxopentanoyl]-[4-[[3-methyl-1-oxo-1-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethylamino]butan-2-yl]-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]-4-oxobutyl]amino]butanoyl]amino]butanoyl-[2-[2-[2-(phenylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]amino]butanoyl]amino]ethoxy]ethoxy]butanoate
CID 159453540
(12Z)-N-[3-(dimethylamino)propyl]-N-[3-ethyl-1-(octadecylamino)-1-oxoheptan-2-yl]octadeca-9,12-dienamide
CID 175954674
(9Z,12Z)-N-[3-methyl-1-[2-[methyl-[2-[[3-methyl-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]-propylamino]butanoyl]amino]ethyl]amino]ethylamino]-1-oxobutan-2-yl]-N-propyloctadeca-9,12-dienamide
CID 176754805
2-[2-[2-[3-[2-[hexadecanoyl(methyl)amino]ethyl-methylamino]-3-oxopropoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 174207545
(9Z,12Z)-N-[1-[2-[bis[2-[[2-[2-hydroxyethyl-[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-methylbutanoyl]amino]ethyl]amino]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-(2-hydroxyethyl)octadeca-9,12-dienamide
CID 170099165
2-[2-hydroxyethyl-[3-(tetradecyldisulfanyl)propanoyl]amino]-N-[2-[2-[[2-[2-hydroxyethyl-[3-(tetradecyldisulfanyl)propanoyl]amino]-3-methylbutanoyl]amino]ethyl-methylamino]ethyl]-3-methylbutanamide
CID 176754714
(Z)-N-[2-(azepan-1-yl)ethyl]-N-[1-[2-[2-[[2-[2-(azepan-1-yl)ethyl-[(Z)-octadec-9-enoyl]amino]-3-methylbutanoyl]amino]ethyl-methylamino]ethylamino]-3-methyl-1-oxobutan-2-yl]octadec-9-enamide
CID 176754738

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide (CID 170530500) is N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N(CCCN(C)C)C(C(=O)NCCCOCCOCCOCCNC(=O)C(C(C)C)N(CCCN(C)C)C(=O)CCCCCCCCCCCCCCCCC)C(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide?
The InChIKey is FWSDYZBTMXLYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H130N6O7/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-44-60(72)70(50-42-48-68(7)8)62(58(3)4)64(74)66-46-41-52-76-54-56-78-57-55-77-53-47-67-65(75)63(59(5)6)71(51-43-49-69(9)10)61(73)45-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h58-59,62-63H,11-57H2,1-10H3,(H,66,74)(H,67,75).
What are the key properties of N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide?
N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide has a molecular weight of 1107.79 g/mol, XLogP of 13.79, 59 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-[1-[3-[2-[2-[2-[[2-[3-(dimethylamino)propyl-octadecanoylamino]-3-methylbutanoyl]amino]ethoxy]ethoxy]ethoxy]propylamino]-3-methyl-1-oxobutan-2-yl]octadecanamide is sourced from PubChem (CID 170530500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).