N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide

C17H28N2O2 — CID 61486165

IUPACN-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-11-18-12-14-7-9-15(10-8-14)21-13-16(20)19-17(3,4)6-2/h7-10,18H,5-6,11-13H2,1-4H3,(H,19,20)
InChIKeyIWLMHONXHLYXNS-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.87
Rot. Bonds9

About N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide

N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide (PubChem CID 61486165) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
PubChem CID61486165
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC NameN-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide
SMILESCCCNCc1ccc(OCC(=O)NC(C)(C)CC)cc1
InChIInChI=1S/C17H28N2O2/c1-5-11-18-12-14-7-9-15(10-8-14)21-13-16(20)19-17(3,4)6-2/h7-10,18H,5-6,11-13H2,1-4H3,(H,19,20)
InChIKeyIWLMHONXHLYXNS-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylbutan-2-yl)-2-[[6-(propylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79783379
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17215561
2-(4-fluorophenoxy)-N-(2-methylbutan-2-yl)acetamide
CID 47001155
N-tert-butyl-2-[4-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenoxy]acetamide;dihydrochloride
CID 17295535
N-(2-methylbutan-2-yl)-2-(4-nitrophenoxy)acetamide
CID 9012174
N-(1-amino-2-methylpropan-2-yl)-2-(4-ethylphenoxy)acetamide
CID 82354507
N-tert-butyl-2-[4-[(3-propan-2-yloxypropylamino)methyl]phenoxy]acetamide
CID 17208957
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
2-[(6-fluoro-3-pyridinyl)oxy]-N-(2-methylbutan-2-yl)acetamide
CID 115282956
2-(4-ethoxyphenoxy)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43390531

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide (CID 61486165) is N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide is CCCNCc1ccc(OCC(=O)NC(C)(C)CC)cc1.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide?
The InChIKey is IWLMHONXHLYXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-11-18-12-14-7-9-15(10-8-14)21-13-16(20)19-17(3,4)6-2/h7-10,18H,5-6,11-13H2,1-4H3,(H,19,20).
What are the key properties of N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide?
N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.87, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-[4-(propylaminomethyl)phenoxy]acetamide is sourced from PubChem (CID 61486165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).