4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

C26H37N3O3 — CID 55746982

IUPAC4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1
InChIInChI=1S/C26H37N3O3/c1-3-28-15-17-29(18-16-28)21-23-13-11-22(12-14-23)20-27-26(30)10-7-19-32-25-9-6-5-8-24(25)31-4-2/h5-6,8-9,11-14H,3-4,7,10,15-21H2,1-2H3,(H,27,30)
InChIKeySWSGTSRIGJSTPJ-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.70
Rot. Bonds12

About 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide

4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (PubChem CID 55746982) has the molecular formula C26H37N3O3 and a molecular weight of 439.60 g/mol. Its IUPAC name is 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
PubChem CID55746982
Molecular FormulaC26H37N3O3
Molecular Weight439.60 g/mol
Exact Mass439.28
IUPAC Name4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
SMILESCCOc1ccccc1OCCCC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1
InChIInChI=1S/C26H37N3O3/c1-3-28-15-17-29(18-16-28)21-23-13-11-22(12-14-23)20-27-26(30)10-7-19-32-25-9-6-5-8-24(25)31-4-2/h5-6,8-9,11-14H,3-4,7,10,15-21H2,1-2H3,(H,27,30)
InChIKeySWSGTSRIGJSTPJ-UHFFFAOYSA-N
XLogP3.70
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-4-naphthalen-1-yloxybutanamide
CID 60514201
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-4-(methylamino)butanamide;trihydrochloride
CID 119901607
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
4-(4-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 55840604
4-[[4-[2-(2-ethoxyphenoxy)ethoxy]phenyl]methylamino]-4-oxobutanoic acid
CID 20988279
4-(2-bromophenoxy)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]butanamide
CID 47040146
3-(3-chloro-4-fluorophenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 47043112
4-(2-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119449031
4-(4-methoxyphenoxy)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]butanamide
CID 27890430
4-(2-aminophenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 84555813
N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-N',N'-dipropylpentanediamide
CID 56546425

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide (CID 55746982) is 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is CCOc1ccccc1OCCCC(=O)NCc1ccc(CN2CCN(CC)CC2)cc1.
What is the InChIKey of 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
The InChIKey is SWSGTSRIGJSTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O3/c1-3-28-15-17-29(18-16-28)21-23-13-11-22(12-14-23)20-27-26(30)10-7-19-32-25-9-6-5-8-24(25)31-4-2/h5-6,8-9,11-14H,3-4,7,10,15-21H2,1-2H3,(H,27,30).
What are the key properties of 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide?
4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide has a molecular weight of 439.60 g/mol, XLogP of 3.70, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenoxy)-N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 55746982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).