N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide

C22H41N5O2 — CID 71342969

IUPACN-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
SMILESCCCCc1ccc(OCCNCCNCCNCCNCCNC(C)=O)cc1
InChIInChI=1S/C22H41N5O2/c1-3-4-5-21-6-8-22(9-7-21)29-19-18-26-15-14-24-11-10-23-12-13-25-16-17-27-20(2)28/h6-9,23-26H,3-5,10-19H2,1-2H3,(H,27,28)
InChIKeyGKXPLBHQIZZBHD-UHFFFAOYSA-N
MW407.60 g/mol
LogP0.90
Rot. Bonds19

About N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide

N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide (PubChem CID 71342969) has the molecular formula C22H41N5O2 and a molecular weight of 407.60 g/mol. Its IUPAC name is N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
PubChem CID71342969
Molecular FormulaC22H41N5O2
Molecular Weight407.60 g/mol
Exact Mass407.33
IUPAC NameN-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide
SMILESCCCCc1ccc(OCCNCCNCCNCCNCCNC(C)=O)cc1
InChIInChI=1S/C22H41N5O2/c1-3-4-5-21-6-8-22(9-7-21)29-19-18-26-15-14-24-11-10-23-12-13-25-16-17-27-20(2)28/h6-9,23-26H,3-5,10-19H2,1-2H3,(H,27,28)
InChIKeyGKXPLBHQIZZBHD-UHFFFAOYSA-N
XLogP0.90
TPSA86.45 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.60
LogP ≤ 50.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-butylphenoxy)ethyl]-2-ethoxyethanamine
CID 115493382
2-[2-(4-pentylphenoxy)ethylamino]acetamide
CID 58097092
N-[2-(4-propylphenoxy)ethyl]pentan-1-amine
CID 63515764
N-[2-(4-butylphenoxy)ethyl]-4-ethoxybutan-1-amine
CID 115493389
6-(4-butylphenoxy)hexan-2-one
CID 115492852
2-butoxy-N-[2-(4-propylphenoxy)ethyl]ethanamine
CID 62582718
N-[2-(4-propylphenoxy)ethyl]propan-1-amine
CID 62548210
N-[2-[4-(2-oxopropyl)phenoxy]ethyl]acetamide
CID 70467709
1-[2-[2-(4-butylphenoxy)ethoxy]ethyl]-3-[4-[2-[2-(4-butylphenoxy)ethoxy]ethylcarbamoylamino]butyl]urea
CID 121385186
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
3-[3-(4-hexoxyphenyl)propylamino]propanoic acid;hydrochloride
CID 23121390

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide?
The IUPAC name of N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide (CID 71342969) is N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide is CCCCc1ccc(OCCNCCNCCNCCNCCNC(C)=O)cc1.
What is the InChIKey of N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide?
The InChIKey is GKXPLBHQIZZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N5O2/c1-3-4-5-21-6-8-22(9-7-21)29-19-18-26-15-14-24-11-10-23-12-13-25-16-17-27-20(2)28/h6-9,23-26H,3-5,10-19H2,1-2H3,(H,27,28).
What are the key properties of N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide?
N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide has a molecular weight of 407.60 g/mol, XLogP of 0.90, 19 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-[2-(4-butylphenoxy)ethylamino]ethylamino]ethylamino]ethylamino]ethyl]acetamide is sourced from PubChem (CID 71342969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).