N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide

C76H145N19O8 — CID 174159965

IUPACN-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide
SMILES[N-]=[N+]=NCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCN(CCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCN=[N+]=[N-])CCN(CCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCN=[N+]=[N-])CCC(=O)NCC(N)=O
InChIInChI=1S/C76H145N19O8/c77-69(96)68-87-76(103)52-65-95(64-51-75(102)86-61-58-83-72(99)48-42-36-30-24-18-12-6-3-9-15-21-27-33-39-45-55-90-93-80)67-66-94(62-49-73(100)84-59-56-81-70(97)46-40-34-28-22-16-10-4-1-7-13-19-25-31-37-43-53-88-91-78)63-50-74(101)85-60-57-82-71(98)47-41-35-29-23-17-11-5-2-8-14-20-26-32-38-44-54-89-92-79/h1-68H2,(H2,77,96)(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,86,102)(H,87,103)
InChIKeyCFCDTZOOSPVVNP-UHFFFAOYSA-N
MW1453.12 g/mol
LogP15.11
Rot. Bonds80

About N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide

N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide (PubChem CID 174159965) has the molecular formula C76H145N19O8 and a molecular weight of 1453.12 g/mol. Its IUPAC name is N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide.

Molecular Properties

Compound NameN-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide
PubChem CID174159965
Molecular FormulaC76H145N19O8
Molecular Weight1453.12 g/mol
Exact Mass1452.15
IUPAC NameN-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide
SMILES[N-]=[N+]=NCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCN(CCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCN=[N+]=[N-])CCN(CCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCN=[N+]=[N-])CCC(=O)NCC(N)=O
InChIInChI=1S/C76H145N19O8/c77-69(96)68-87-76(103)52-65-95(64-51-75(102)86-61-58-83-72(99)48-42-36-30-24-18-12-6-3-9-15-21-27-33-39-45-55-90-93-80)67-66-94(62-49-73(100)84-59-56-81-70(97)46-40-34-28-22-16-10-4-1-7-13-19-25-31-37-43-53-88-91-78)63-50-74(101)85-60-57-82-71(98)47-41-35-29-23-17-11-5-2-8-14-20-26-32-38-44-54-89-92-79/h1-68H2,(H2,77,96)(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,86,102)(H,87,103)
InChIKeyCFCDTZOOSPVVNP-UHFFFAOYSA-N
XLogP15.11
TPSA399.55 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds80
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001453.12
LogP ≤ 515.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide 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

18-azido-N-[2-[3-[[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]-[2-[bis[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl]amino]propanoylamino]ethyl]octadecanamide
CID 175974190
N-(3-aminopropyl)-6-azidohexanamide
CID 151488540
N-(4-azidobutyl)heptanamide
CID 106386394
N-(4-azidobutyl)hexanamide
CID 106386708
5-(6-azidohexylamino)-5-oxopentanoic acid
CID 58992347
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-6-azidohexanamide
CID 171532583
5-(6-azidohexanoylamino)pentyl-tert-butylcarbamic acid
CID 118129737
5-azidopentyl 3-[bis[3-(5-azidopentoxy)-3-oxopropyl]amino]propanoate
CID 132604980
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
6-azido-N-methylhexanamide
CID 130188396
(9Z,12Z)-N-(6-azidohexyl)octadeca-9,12-dienamide
CID 53251543
7-azido-N-[(2-methylpropan-2-yl)oxy]heptanamide
CID 86614265

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide?
The IUPAC name of N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide (CID 174159965) is N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide.
What is the SMILES notation for N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide?
The canonical SMILES for N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide is [N-]=[N+]=NCCCCCCCCCCCCCCCCCC(=O)NCCNC(=O)CCN(CCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCN=[N+]=[N-])CCN(CCC(=O)NCCNC(=O)CCCCCCCCCCCCCCCCCN=[N+]=[N-])CCC(=O)NCC(N)=O.
What is the InChIKey of N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide?
The InChIKey is CFCDTZOOSPVVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H145N19O8/c77-69(96)68-87-76(103)52-65-95(64-51-75(102)86-61-58-83-72(99)48-42-36-30-24-18-12-6-3-9-15-21-27-33-39-45-55-90-93-80)67-66-94(62-49-73(100)84-59-56-81-70(97)46-40-34-28-22-16-10-4-1-7-13-19-25-31-37-43-53-88-91-78)63-50-74(101)85-60-57-82-71(98)47-41-35-29-23-17-11-5-2-8-14-20-26-32-38-44-54-89-92-79/h1-68H2,(H2,77,96)(H,81,97)(H,82,98)(H,83,99)(H,84,100)(H,85,101)(H,86,102)(H,87,103).
What are the key properties of N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide?
N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide has a molecular weight of 1453.12 g/mol, XLogP of 15.11, 80 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[[3-[(2-amino-2-oxoethyl)amino]-3-oxopropyl]-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-(18-azidooctadecanoylamino)ethylamino]-3-oxopropyl]amino]propanoylamino]ethyl]-18-azidooctadecanamide is sourced from PubChem (CID 174159965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).