2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate

C40H68N4O14 — CID 170649164

IUPAC2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate
SMILESCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)NCCON(CCC)C(=O)C1=Cc2ccccc2N=C(N)C1
InChIInChI=1S/C40H68N4O14/c1-3-10-44(39(45)36-33-35-7-5-6-8-37(35)43-38(41)34-36)58-12-9-42-40(46)57-32-31-56-30-29-55-28-27-54-26-25-53-24-23-52-22-21-51-20-19-50-18-17-49-16-15-48-14-13-47-11-4-2/h5-8,33H,3-4,9-32,34H2,1-2H3,(H2,41,43)(H,42,46)
InChIKeyPRZNBOFHSGKPHC-UHFFFAOYSA-N
MW829.00 g/mol
LogP2.93
Rot. Bonds39

About 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate

2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate (PubChem CID 170649164) has the molecular formula C40H68N4O14 and a molecular weight of 829.00 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate
PubChem CID170649164
Molecular FormulaC40H68N4O14
Molecular Weight829.00 g/mol
Exact Mass828.47
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate
SMILESCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)NCCON(CCC)C(=O)C1=Cc2ccccc2N=C(N)C1
InChIInChI=1S/C40H68N4O14/c1-3-10-44(39(45)36-33-35-7-5-6-8-37(35)43-38(41)34-36)58-12-9-42-40(46)57-32-31-56-30-29-55-28-27-54-26-25-53-24-23-52-22-21-51-20-19-50-18-17-49-16-15-48-14-13-47-11-4-2/h5-8,33H,3-4,9-32,34H2,1-2H3,(H2,41,43)(H,42,46)
InChIKeyPRZNBOFHSGKPHC-UHFFFAOYSA-N
XLogP2.93
TPSA198.55 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.00
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate?
The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate (CID 170649164) is 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate is CCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=O)NCCON(CCC)C(=O)C1=Cc2ccccc2N=C(N)C1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate?
The InChIKey is PRZNBOFHSGKPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H68N4O14/c1-3-10-44(39(45)36-33-35-7-5-6-8-37(35)43-38(41)34-36)58-12-9-42-40(46)57-32-31-56-30-29-55-28-27-54-26-25-53-24-23-52-22-21-51-20-19-50-18-17-49-16-15-48-14-13-47-11-4-2/h5-8,33H,3-4,9-32,34H2,1-2H3,(H2,41,43)(H,42,46).
What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate?
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate has a molecular weight of 829.00 g/mol, XLogP of 2.93, 39 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[2-[(2-amino-3H-1-benzazepine-4-carbonyl)-propylamino]oxyethyl]carbamate is sourced from PubChem (CID 170649164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).