N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide

C26H49N3O6 — CID 166816782

IUPACN-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
SMILESO=C(CCOCCOCCNC1CCCCCC1)NCCOCCOCCNC(=O)C1CCCC1
InChIInChI=1S/C26H49N3O6/c30-25(11-15-32-19-20-33-16-12-27-24-9-3-1-2-4-10-24)28-13-17-34-21-22-35-18-14-29-26(31)23-7-5-6-8-23/h23-24,27H,1-22H2,(H,28,30)(H,29,31)
InChIKeyKEJRLEIZJUZNLB-UHFFFAOYSA-N
MW499.69 g/mol
LogP2.18
Rot. Bonds20

About N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide

N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide (PubChem CID 166816782) has the molecular formula C26H49N3O6 and a molecular weight of 499.69 g/mol. Its IUPAC name is N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
PubChem CID166816782
Molecular FormulaC26H49N3O6
Molecular Weight499.69 g/mol
Exact Mass499.36
IUPAC NameN-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
SMILESO=C(CCOCCOCCNC1CCCCCC1)NCCOCCOCCNC(=O)C1CCCC1
InChIInChI=1S/C26H49N3O6/c30-25(11-15-32-19-20-33-16-12-27-24-9-3-1-2-4-10-24)28-13-17-34-21-22-35-18-14-29-26(31)23-7-5-6-8-23/h23-24,27H,1-22H2,(H,28,30)(H,29,31)
InChIKeyKEJRLEIZJUZNLB-UHFFFAOYSA-N
XLogP2.18
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.69
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide 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

N-[2-[2-[2-(cyclopentylamino)ethoxy]ethoxy]ethyl]cyclopentanecarboxamide
CID 166816681
N-[2-[2-[3-(2-methylidenehydrazinyl)-3-oxopropoxy]ethoxy]ethyl]cyclotridecanecarboxamide
CID 135141214
N-[2-[2-(dimethylamino)ethoxy]ethyl]cyclohexanecarboxamide
CID 176960465
N-[12-(cyclohexylamino)dodecyl]cyclopentanecarboxamide
CID 146474949
N-[12-(cycloheptylamino)dodecyl]cyclohexanecarboxamide
CID 166816734
2-[2-(cycloheptylamino)ethoxy]acetic acid
CID 82934150
N-(2-cyclohexyloxyethyl)cyclohexanecarboxamide
CID 140689700
N-[3-(cyclopentylamino)propyl]cyclobutanecarboxamide;hydrochloride
CID 115676200
N-(2-cyclohexyloxyethyl)-3-(cyclopropylamino)propanamide
CID 63827585
N-[2-(cycloheptylamino)ethyl]-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 119620939
2-[2-(cyclohexylamino)ethoxy]ethanol
CID 3361598
N-[3-(2-bromoethoxy)propyl]cycloheptanecarboxamide
CID 106307600

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide (CID 166816782) is N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide is O=C(CCOCCOCCNC1CCCCCC1)NCCOCCOCCNC(=O)C1CCCC1.
What is the InChIKey of N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide?
The InChIKey is KEJRLEIZJUZNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H49N3O6/c30-25(11-15-32-19-20-33-16-12-27-24-9-3-1-2-4-10-24)28-13-17-34-21-22-35-18-14-29-26(31)23-7-5-6-8-23/h23-24,27H,1-22H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide?
N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide has a molecular weight of 499.69 g/mol, XLogP of 2.18, 20 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[3-[2-[2-(cycloheptylamino)ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 166816782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).