2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide

C28H47N3O2 — CID 58767707

IUPAC2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide
SMILESCCCCN1CCN(c2cc(OCC(=O)N(C)C)ccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H47N3O2/c1-7-8-15-30-16-18-31(19-17-30)26-20-24(33-21-27(32)29(5)6)13-14-25(26)22-9-11-23(12-10-22)28(2,3)4/h13-14,20,22-23H,7-12,15-19,21H2,1-6H3
InChIKeyYPHCVSLBTNZILM-UHFFFAOYSA-N
MW457.70 g/mol
LogP5.40
Rot. Bonds8

About 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide

2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide (PubChem CID 58767707) has the molecular formula C28H47N3O2 and a molecular weight of 457.70 g/mol. Its IUPAC name is 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide
PubChem CID58767707
Molecular FormulaC28H47N3O2
Molecular Weight457.70 g/mol
Exact Mass457.37
IUPAC Name2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide
SMILESCCCCN1CCN(c2cc(OCC(=O)N(C)C)ccc2C2CCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C28H47N3O2/c1-7-8-15-30-16-18-31(19-17-30)26-20-24(33-21-27(32)29(5)6)13-14-25(26)22-9-11-23(12-10-22)28(2,3)4/h13-14,20,22-23H,7-12,15-19,21H2,1-6H3
InChIKeyYPHCVSLBTNZILM-UHFFFAOYSA-N
XLogP5.40
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.70
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]acetic acid
CID 23141663
2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-diethylethanamine
CID 58767823
methyl 4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)benzoate
CID 58767708
1-butyl-4-[5-tert-butyl-2-(4-tert-butylcyclohexyl)phenyl]piperazine
CID 23142503
methyl 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenyl]acetate;hydrochloride
CID 69219040
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-ylphenyl]piperazine;hydrochloride
CID 23141815
2-[4-[2-(4-tert-butylcyclohexyl)-4-methoxyphenyl]piperazin-1-yl]-N,N-dimethylacetamide;hydrochloride
CID 69219502
N-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]-N-methyloxan-4-amine
CID 58767780
2-[1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-yl]oxyacetic acid
CID 58767706
[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]methanamine
CID 23141912
1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-methoxy-4-piperidin-1-ylphenyl]piperazine
CID 23141719
1-[3-(4-tert-butylcyclohexyl)-4-(4-butylpiperazin-1-yl)phenyl]piperidin-4-one
CID 58767818

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide (CID 58767707) is 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide is CCCCN1CCN(c2cc(OCC(=O)N(C)C)ccc2C2CCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide?
The InChIKey is YPHCVSLBTNZILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H47N3O2/c1-7-8-15-30-16-18-31(19-17-30)26-20-24(33-21-27(32)29(5)6)13-14-25(26)22-9-11-23(12-10-22)28(2,3)4/h13-14,20,22-23H,7-12,15-19,21H2,1-6H3.
What are the key properties of 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide?
2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide has a molecular weight of 457.70 g/mol, XLogP of 5.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-tert-butylcyclohexyl)-3-(4-butylpiperazin-1-yl)phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 58767707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).