butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

C24H49FN4O7 — CID 177304733

IUPACbutyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCCCCOC(=O)NCCOCCOCCOCCOCCN1CCN(CCOCC(F)CN)CC1
InChIInChI=1S/C24H49FN4O7/c1-2-3-11-36-24(30)27-4-12-31-15-17-33-19-20-34-18-16-32-13-9-28-5-7-29(8-6-28)10-14-35-22-23(25)21-26/h23H,2-22,26H2,1H3,(H,27,30)
InChIKeyOYFNFSNXJMGKGD-UHFFFAOYSA-N
MW524.68 g/mol
LogP0.51
Rot. Bonds24

About butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate

butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (PubChem CID 177304733) has the molecular formula C24H49FN4O7 and a molecular weight of 524.68 g/mol. Its IUPAC name is butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
PubChem CID177304733
Molecular FormulaC24H49FN4O7
Molecular Weight524.68 g/mol
Exact Mass524.36
IUPAC Namebutyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
SMILESCCCCOC(=O)NCCOCCOCCOCCOCCN1CCN(CCOCC(F)CN)CC1
InChIInChI=1S/C24H49FN4O7/c1-2-3-11-36-24(30)27-4-12-31-15-17-33-19-20-34-18-16-32-13-9-28-5-7-29(8-6-28)10-14-35-22-23(25)21-26/h23H,2-22,26H2,1H3,(H,27,30)
InChIKeyOYFNFSNXJMGKGD-UHFFFAOYSA-N
XLogP0.51
TPSA116.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.68
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The IUPAC name of butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate (CID 177304733) is butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate.
What is the SMILES notation for butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The canonical SMILES for butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is CCCCOC(=O)NCCOCCOCCOCCOCCN1CCN(CCOCC(F)CN)CC1.
What is the InChIKey of butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
The InChIKey is OYFNFSNXJMGKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49FN4O7/c1-2-3-11-36-24(30)27-4-12-31-15-17-33-19-20-34-18-16-32-13-9-28-5-7-29(8-6-28)10-14-35-22-23(25)21-26/h23H,2-22,26H2,1H3,(H,27,30).
What are the key properties of butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate?
butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate has a molecular weight of 524.68 g/mol, XLogP of 0.51, 24 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[2-[2-[2-[2-[2-[4-[2-(3-amino-2-fluoropropoxy)ethyl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate is sourced from PubChem (CID 177304733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).