2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide

C122H168N10O18 — CID 177416344

IUPAC2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide
SMILESCCCCCCCCCCOc1cc(OCCCCCCCCCC)c(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3cc(C(=O)Nc4ccc5ccccc5c4)c(OCCCCCCCCCC)cc3OCCCCCCCCCC)c2OC)cc1C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)c(OCCCCCCCCCC)cc2OCCCCCCCCCC)c1OC
InChIInChI=1S/C122H168N10O18/c1-9-15-21-27-33-39-45-55-75-145-105-86-107(147-77-57-47-41-35-29-23-17-11-3)101(83-99(105)113(133)123-93-73-71-89-63-51-53-65-91(89)81-93)119(139)129-125-115(135)95-67-61-69-97(111(95)143-7)117(137)127-131-121(141)103-85-104(110(150-80-60-50-44-38-32-26-20-14-6)88-109(103)149-79-59-49-43-37-31-25-19-13-5)122(142)132-128-118(138)98-70-62-68-96(112(98)144-8)116(136)126-130-120(140)102-84-100(114(134)124-94-74-72-90-64-52-54-66-92(90)82-94)106(146-76-56-46-40-34-28-22-16-10-2)87-108(102)148-78-58-48-42-36-30-24-18-12-4/h51-54,61-74,81-88H,9-50,55-60,75-80H2,1-8H3,(H,123,133)(H,124,134)(H,125,135)(H,126,136)(H,127,137)(H,128,138)(H,129,139)(H,130,140)(H,131,141)(H,132,142)
InChIKeyXBXCZIVTZSQMPO-UHFFFAOYSA-N
MW2062.74 g/mol
LogP27.93
Rot. Bonds74

About 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide

2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide (PubChem CID 177416344) has the molecular formula C122H168N10O18 and a molecular weight of 2062.74 g/mol. Its IUPAC name is 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide.

Molecular Properties

Compound Name2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide
PubChem CID177416344
Molecular FormulaC122H168N10O18
Molecular Weight2062.74 g/mol
Exact Mass2061.25
IUPAC Name2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide
SMILESCCCCCCCCCCOc1cc(OCCCCCCCCCC)c(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3cc(C(=O)Nc4ccc5ccccc5c4)c(OCCCCCCCCCC)cc3OCCCCCCCCCC)c2OC)cc1C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)c(OCCCCCCCCCC)cc2OCCCCCCCCCC)c1OC
InChIInChI=1S/C122H168N10O18/c1-9-15-21-27-33-39-45-55-75-145-105-86-107(147-77-57-47-41-35-29-23-17-11-3)101(83-99(105)113(133)123-93-73-71-89-63-51-53-65-91(89)81-93)119(139)129-125-115(135)95-67-61-69-97(111(95)143-7)117(137)127-131-121(141)103-85-104(110(150-80-60-50-44-38-32-26-20-14-6)88-109(103)149-79-59-49-43-37-31-25-19-13-5)122(142)132-128-118(138)98-70-62-68-96(112(98)144-8)116(136)126-130-120(140)102-84-100(114(134)124-94-74-72-90-64-52-54-66-92(90)82-94)106(146-76-56-46-40-34-28-22-16-10-2)87-108(102)148-78-58-48-42-36-30-24-18-12-4/h51-54,61-74,81-88H,9-50,55-60,75-80H2,1-8H3,(H,123,133)(H,124,134)(H,125,135)(H,126,136)(H,127,137)(H,128,138)(H,129,139)(H,130,140)(H,131,141)(H,132,142)
InChIKeyXBXCZIVTZSQMPO-UHFFFAOYSA-N
XLogP27.93
TPSA364.84 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds74
Heavy Atoms150
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002062.74
LogP ≤ 527.93
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide with MolForge

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Related Compounds

N'-(4-hexadecoxybenzoyl)naphthalene-1-carbohydrazide
CID 162371332
N'-(4-butoxy-3-methoxybenzoyl)naphthalene-1-carbohydrazide
CID 26621633
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756
2-hexoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 17086084
2-hexoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958241
2-hexoxy-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 4942269
2-pentoxy-N-(4-propoxyphenyl)benzamide
CID 4946753
2-fluoro-N-(3-hexoxyphenyl)benzamide
CID 17094825
N-(naphthalen-2-ylcarbamothioyl)-4-pentoxybenzamide
CID 17232208
N-(3,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946489
N-naphthalen-2-yl-2-(2-phenoxyethoxy)benzamide
CID 17231987
N-(3-acetamidophenyl)-2-butoxybenzamide
CID 17189815

Frequently Asked Questions

What is the IUPAC name of 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide?
The IUPAC name of 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide (CID 177416344) is 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide.
What is the SMILES notation for 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide?
The canonical SMILES for 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide is CCCCCCCCCCOc1cc(OCCCCCCCCCC)c(C(=O)NNC(=O)c2cccc(C(=O)NNC(=O)c3cc(C(=O)Nc4ccc5ccccc5c4)c(OCCCCCCCCCC)cc3OCCCCCCCCCC)c2OC)cc1C(=O)NNC(=O)c1cccc(C(=O)NNC(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)c(OCCCCCCCCCC)cc2OCCCCCCCCCC)c1OC.
What is the InChIKey of 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide?
The InChIKey is XBXCZIVTZSQMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H168N10O18/c1-9-15-21-27-33-39-45-55-75-145-105-86-107(147-77-57-47-41-35-29-23-17-11-3)101(83-99(105)113(133)123-93-73-71-89-63-51-53-65-91(89)81-93)119(139)129-125-115(135)95-67-61-69-97(111(95)143-7)117(137)127-131-121(141)103-85-104(110(150-80-60-50-44-38-32-26-20-14-6)88-109(103)149-79-59-49-43-37-31-25-19-13-5)122(142)132-128-118(138)98-70-62-68-96(112(98)144-8)116(136)126-130-120(140)102-84-100(114(134)124-94-74-72-90-64-52-54-66-92(90)82-94)106(146-76-56-46-40-34-28-22-16-10-2)87-108(102)148-78-58-48-42-36-30-24-18-12-4/h51-54,61-74,81-88H,9-50,55-60,75-80H2,1-8H3,(H,123,133)(H,124,134)(H,125,135)(H,126,136)(H,127,137)(H,128,138)(H,129,139)(H,130,140)(H,131,141)(H,132,142).
What are the key properties of 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide?
2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide has a molecular weight of 2062.74 g/mol, XLogP of 27.93, 74 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-[[[3-[[[2,4-didecoxy-5-(naphthalen-2-ylcarbamoyl)benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]benzoyl]amino]carbamoyl]-2-methoxybenzoyl]amino]carbamoyl]-N-naphthalen-2-ylbenzamide is sourced from PubChem (CID 177416344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).