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

C58H112N6O8 — CID 167208150

IUPACN-[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
SMILESCCCCCCCCCCCCCC(=O)N(CCCN1CCOCC1)C(C(=O)NCCOCCOCCNC(=O)C(C(C)C)N(CCCN1CCOCC1)C(=O)CCCCCCCCCCCCC)C(C)C
InChIInChI=1S/C58H112N6O8/c1-7-9-11-13-15-17-19-21-23-25-27-31-53(65)63(37-29-35-61-39-45-71-46-40-61)55(51(3)4)57(67)59-33-43-69-49-50-70-44-34-60-58(68)56(52(5)6)64(38-30-36-62-41-47-72-48-42-62)54(66)32-28-26-24-22-20-18-16-14-12-10-8-2/h51-52,55-56H,7-50H2,1-6H3,(H,59,67)(H,60,68)
InChIKeyJLPRZOJMLWMQRG-UHFFFAOYSA-N
MW1021.57 g/mol
LogP9.81
Rot. Bonds47

About 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

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 (PubChem CID 167208150) has the molecular formula C58H112N6O8 and a molecular weight of 1021.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID167208150
Molecular FormulaC58H112N6O8
Molecular Weight1021.57 g/mol
Exact Mass1020.85
IUPAC NameN-[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
SMILESCCCCCCCCCCCCCC(=O)N(CCCN1CCOCC1)C(C(=O)NCCOCCOCCNC(=O)C(C(C)C)N(CCCN1CCOCC1)C(=O)CCCCCCCCCCCCC)C(C)C
InChIInChI=1S/C58H112N6O8/c1-7-9-11-13-15-17-19-21-23-25-27-31-53(65)63(37-29-35-61-39-45-71-46-40-61)55(51(3)4)57(67)59-33-43-69-49-50-70-44-34-60-58(68)56(52(5)6)64(38-30-36-62-41-47-72-48-42-62)54(66)32-28-26-24-22-20-18-16-14-12-10-8-2/h51-52,55-56H,7-50H2,1-6H3,(H,59,67)(H,60,68)
InChIKeyJLPRZOJMLWMQRG-UHFFFAOYSA-N
XLogP9.81
TPSA142.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds47
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.57
LogP ≤ 59.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
N-[1-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-3-methyl-1-oxobutan-2-yl]-N-methyltridecanamide
CID 23503512
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
(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
N,2-dimethylpropanamide;ethane;4-(2-pentoxyethyl)morpholine
CID 171540702
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
4-(2-hexoxyethyl)morpholine
CID 3326674
N,2-dimethylpropanamide;4-pentylmorpholine
CID 170583919
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
4-hexylmorpholine
CID 3614751
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
2-morpholin-4-ylethyl octanoate
CID 23118480

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCCCCCCCCC(=O)N(CCCN1CCOCC1)C(C(=O)NCCOCCOCCNC(=O)C(C(C)C)N(CCCN1CCOCC1)C(=O)CCCCCCCCCCCCC)C(C)C.
What is the InChIKey of 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?
The InChIKey is JLPRZOJMLWMQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H112N6O8/c1-7-9-11-13-15-17-19-21-23-25-27-31-53(65)63(37-29-35-61-39-45-71-46-40-61)55(51(3)4)57(67)59-33-43-69-49-50-70-44-34-60-58(68)56(52(5)6)64(38-30-36-62-41-47-72-48-42-62)54(66)32-28-26-24-22-20-18-16-14-12-10-8-2/h51-52,55-56H,7-50H2,1-6H3,(H,59,67)(H,60,68).
What are the key properties of 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?
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 has a molecular weight of 1021.57 g/mol, XLogP of 9.81, 47 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167208150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).