5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide

C75H147N7O6 — CID 167560323

IUPAC5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide
SMILESCCCCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CCCCN
InChIInChI=1S/C75H147N7O6/c1-6-11-16-21-26-31-36-41-46-53-60-78(65-70(77)83)72(85)67-80(62-55-48-43-38-33-28-23-18-13-8-3)74(87)69-82(64-57-50-45-40-35-30-25-20-15-10-5)75(88)68-81(63-56-49-44-39-34-29-24-19-14-9-4)73(86)66-79(71(84)58-51-52-59-76)61-54-47-42-37-32-27-22-17-12-7-2/h6-69,76H2,1-5H3,(H2,77,83)
InChIKeyDOMREQFWQHLNHT-UHFFFAOYSA-N
MW1243.04 g/mol
LogP18.35
Rot. Bonds69

About 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide

5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide (PubChem CID 167560323) has the molecular formula C75H147N7O6 and a molecular weight of 1243.04 g/mol. Its IUPAC name is 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide.

Molecular Properties

Compound Name5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide
PubChem CID167560323
Molecular FormulaC75H147N7O6
Molecular Weight1243.04 g/mol
Exact Mass1242.14
IUPAC Name5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide
SMILESCCCCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CCCCN
InChIInChI=1S/C75H147N7O6/c1-6-11-16-21-26-31-36-41-46-53-60-78(65-70(77)83)72(85)67-80(62-55-48-43-38-33-28-23-18-13-8-3)74(87)69-82(64-57-50-45-40-35-30-25-20-15-10-5)75(88)68-81(63-56-49-44-39-34-29-24-19-14-9-4)73(86)66-79(71(84)58-51-52-59-76)61-54-47-42-37-32-27-22-17-12-7-2/h6-69,76H2,1-5H3,(H2,77,83)
InChIKeyDOMREQFWQHLNHT-UHFFFAOYSA-N
XLogP18.35
TPSA170.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds69
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001243.04
LogP ≤ 518.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide?
The IUPAC name of 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide (CID 167560323) is 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide.
What is the SMILES notation for 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide?
The canonical SMILES for 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide is CCCCCCCCCCCCN(CC(N)=O)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CN(CCCCCCCCCCCC)C(=O)CCCCN.
What is the InChIKey of 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide?
The InChIKey is DOMREQFWQHLNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H147N7O6/c1-6-11-16-21-26-31-36-41-46-53-60-78(65-70(77)83)72(85)67-80(62-55-48-43-38-33-28-23-18-13-8-3)74(87)69-82(64-57-50-45-40-35-30-25-20-15-10-5)75(88)68-81(63-56-49-44-39-34-29-24-19-14-9-4)73(86)66-79(71(84)58-51-52-59-76)61-54-47-42-37-32-27-22-17-12-7-2/h6-69,76H2,1-5H3,(H2,77,83).
What are the key properties of 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide?
5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide has a molecular weight of 1243.04 g/mol, XLogP of 18.35, 69 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-dodecylamino]-2-oxoethyl]-N-dodecylpentanamide is sourced from PubChem (CID 167560323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).