1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide

C144H282N6O6 — CID 132573279

IUPAC1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C1(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCC1
InChIInChI=1S/C144H282N6O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-94-106-118-130-145-136(151)142(137(152)146-131-119-107-95-80-74-68-62-56-50-44-38-32-26-20-14-8-2)124-112-100-88-85-90-102-114-126-143(138(153)147-132-120-108-96-81-75-69-63-57-51-45-39-33-27-21-15-9-3,139(154)148-133-121-109-97-82-76-70-64-58-52-46-40-34-28-22-16-10-4)128-116-104-92-87-93-105-117-129-144(127-115-103-91-86-89-101-113-125-142,140(155)149-134-122-110-98-83-77-71-65-59-53-47-41-35-29-23-17-11-5)141(156)150-135-123-111-99-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h7-135H2,1-6H3,(H,145,151)(H,146,152)(H,147,153)(H,148,154)(H,149,155)(H,150,156)
InChIKeyGLIXZJKFYPDZCQ-UHFFFAOYSA-N
MW2193.88 g/mol
LogP45.76
Rot. Bonds108

About 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide

1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide (PubChem CID 132573279) has the molecular formula C144H282N6O6 and a molecular weight of 2193.88 g/mol. Its IUPAC name is 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide.

Molecular Properties

Compound Name1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
PubChem CID132573279
Molecular FormulaC144H282N6O6
Molecular Weight2193.88 g/mol
Exact Mass2192.19
IUPAC Name1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C1(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCC1
InChIInChI=1S/C144H282N6O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-94-106-118-130-145-136(151)142(137(152)146-131-119-107-95-80-74-68-62-56-50-44-38-32-26-20-14-8-2)124-112-100-88-85-90-102-114-126-143(138(153)147-132-120-108-96-81-75-69-63-57-51-45-39-33-27-21-15-9-3,139(154)148-133-121-109-97-82-76-70-64-58-52-46-40-34-28-22-16-10-4)128-116-104-92-87-93-105-117-129-144(127-115-103-91-86-89-101-113-125-142,140(155)149-134-122-110-98-83-77-71-65-59-53-47-41-35-29-23-17-11-5)141(156)150-135-123-111-99-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h7-135H2,1-6H3,(H,145,151)(H,146,152)(H,147,153)(H,148,154)(H,149,155)(H,150,156)
InChIKeyGLIXZJKFYPDZCQ-UHFFFAOYSA-N
XLogP45.76
TPSA174.60 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds108
Heavy Atoms156
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.88
LogP ≤ 545.76
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N'-hexyl-1-N-methylcyclobutane-1,1-dicarboxamide
CID 71878534
1-amino-N-hexadecylcyclopentane-1-carboxamide;hydrochloride
CID 162369758
1-N'-cyclohexyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108972201
1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979327
N-butyl-1-methylcyclohexane-1-carboxamide
CID 168924588
1-amino-N-pentylcyclobutane-1-carboxamide
CID 81167514
1-carbamothioyl-N-pentylcyclopropane-1-carboxamide
CID 80592483
N-decyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80593590
1-N'-butan-2-yl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108971439
1-N-butyl-1-N'-cycloheptylcyclopropane-1,1-dicarboxamide
CID 108971049
N-hexyl-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242387
1-cyano-N-hexylcyclobutane-1-carboxamide
CID 78994999

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide?
The IUPAC name of 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide (CID 132573279) is 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide.
What is the SMILES notation for 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide?
The canonical SMILES for 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide is CCCCCCCCCCCCCCCCCCNC(=O)C1(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCCC(C(=O)NCCCCCCCCCCCCCCCCCC)(C(=O)NCCCCCCCCCCCCCCCCCC)CCCCCCCCC1.
What is the InChIKey of 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide?
The InChIKey is GLIXZJKFYPDZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C144H282N6O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-94-106-118-130-145-136(151)142(137(152)146-131-119-107-95-80-74-68-62-56-50-44-38-32-26-20-14-8-2)124-112-100-88-85-90-102-114-126-143(138(153)147-132-120-108-96-81-75-69-63-57-51-45-39-33-27-21-15-9-3,139(154)148-133-121-109-97-82-76-70-64-58-52-46-40-34-28-22-16-10-4)128-116-104-92-87-93-105-117-129-144(127-115-103-91-86-89-101-113-125-142,140(155)149-134-122-110-98-83-77-71-65-59-53-47-41-35-29-23-17-11-5)141(156)150-135-123-111-99-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h7-135H2,1-6H3,(H,145,151)(H,146,152)(H,147,153)(H,148,154)(H,149,155)(H,150,156).
What are the key properties of 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide?
1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide has a molecular weight of 2193.88 g/mol, XLogP of 45.76, 108 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N',11-N,11-N',21-N,21-N'-hexaoctadecylcyclotriacontane-1,1,11,11,21,21-hexacarboxamide is sourced from PubChem (CID 132573279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).