N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide

C117H146N18O14 — CID 166867175

About N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide

N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 166867175) has the molecular formula C117H146N18O14 and a molecular weight of 2028.57 g/mol. Its IUPAC name is N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

• Compound Name: N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide
• PubChem CID: 166867175
• Molecular Formula: C117H146N18O14
• Molecular Weight: 2028.57 g/mol
• Exact Mass: 2027.13
• IUPAC Name: N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide
• SMILES: CN(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CC=O)CCc1ccccc1
• InChI: InChI=1S/C117H146N18O14/c1-122(66-52-95-32-12-2-13-33-95)82-105(137)124(68-54-97-36-16-4-17-37-97)87-114(146)132(76-62-118)92-111(143)126(70-56-99-40-20-6-21-41-99)84-107(139)130(74-60-103-48-28-10-29-49-103)89-116(148)134(78-64-120)94-113(145)128(72-58-101-44-24-8-25-45-101)86-109(141)131(75-61-104-50-30-11-31-51-104)90-117(149)135(79-65-121)93-112(144)127(71-57-100-42-22-7-23-43-100)85-108(140)129(73-59-102-46-26-9-27-47-102)88-115(147)133(77-63-119)91-110(142)125(69-55-98-38-18-5-19-39-98)83-106(138)123(80-81-136)67-53-96-34-14-3-15-35-96/h2-51,81H,52-80,82-94,118-121H2,1H3
• InChIKey: MOTMOPUXJSXWRL-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 388.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 66
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2028.57
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide?

The IUPAC name of N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide (CID 166867175) is N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide.

What is the SMILES notation for N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide?

The canonical SMILES for N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide is CN(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CCc1ccccc1)CC(=O)N(CCN)CC(=O)N(CCc1ccccc1)CC(=O)N(CC=O)CCc1ccccc1.

What is the InChIKey of N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide?

The InChIKey is MOTMOPUXJSXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C117H146N18O14/c1-122(66-52-95-32-12-2-13-33-95)82-105(137)124(68-54-97-36-16-4-17-37-97)87-114(146)132(76-62-118)92-111(143)126(70-56-99-40-20-6-21-41-99)84-107(139)130(74-60-103-48-28-10-29-49-103)89-116(148)134(78-64-120)94-113(145)128(72-58-101-44-24-8-25-45-101)86-109(141)131(75-61-104-50-30-11-31-51-104)90-117(149)135(79-65-121)93-112(144)127(71-57-100-42-22-7-23-43-100)85-108(140)129(73-59-102-46-26-9-27-47-102)88-115(147)133(77-63-119)91-110(142)125(69-55-98-38-18-5-19-39-98)83-106(138)123(80-81-136)67-53-96-34-14-3-15-35-96/h2-51,81H,52-80,82-94,118-121H2,1H3.

What are the key properties of N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide?

N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 2028.57 g/mol, XLogP of 6.15, 66 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-[[2-[[2-[2-aminoethyl-[2-oxo-2-[[2-oxo-2-[2-oxoethyl(2-phenylethyl)amino]ethyl]-(2-phenylethyl)amino]ethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]-(2-phenylethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]-2-[methyl(2-phenylethyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 166867175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).