N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide

C17H25NO3 — CID 70554989

IUPACN-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide
SMILESCC=C(C)C(Oc1ccccc1NC(C)=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-7-12(2)16(21-17(4,5)6)20-15-11-9-8-10-14(15)18-13(3)19/h7-11,16H,1-6H3,(H,18,19)
InChIKeyANTNUORFADPCFN-UHFFFAOYSA-N
MW291.39 g/mol
LogP4.13
Rot. Bonds5

About N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide

N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide (PubChem CID 70554989) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide
PubChem CID70554989
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide
SMILESCC=C(C)C(Oc1ccccc1NC(C)=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-7-12(2)16(21-17(4,5)6)20-15-11-9-8-10-14(15)18-13(3)19/h7-11,16H,1-6H3,(H,18,19)
InChIKeyANTNUORFADPCFN-UHFFFAOYSA-N
XLogP4.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2-acetamidophenyl) hypochlorite
CID 150463309
methyl 2-(2-acetamidophenoxy)propanoate
CID 54941686
N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide
CID 64698163
N-[2-[(E)-prop-1-enoxy]phenyl]acetamide
CID 22313764
N-(2-ethenoxyphenyl)acetamide
CID 66367179
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
N-[2-[4-(2-acetamidophenoxy)butoxy]phenyl]acetamide
CID 3708150
2,2-dimethyl-N-(2-methylphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108967269
N-[2-[10-(2-acetamidophenoxy)decoxy]phenyl]acetamide
CID 4569719
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
(E)-4-(2-acetamidophenoxy)but-2-enoic acid
CID 55065855
N-[2-[2-(2-methylphenoxy)ethoxy]phenyl]acetamide
CID 9017902

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide?
The IUPAC name of N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide (CID 70554989) is N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide.
What is the SMILES notation for N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide?
The canonical SMILES for N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide is CC=C(C)C(Oc1ccccc1NC(C)=O)OC(C)(C)C.
What is the InChIKey of N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide?
The InChIKey is ANTNUORFADPCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-7-12(2)16(21-17(4,5)6)20-15-11-9-8-10-14(15)18-13(3)19/h7-11,16H,1-6H3,(H,18,19).
What are the key properties of N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide?
N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methyl-1-[(2-methylpropan-2-yl)oxy]but-2-enoxy]phenyl]acetamide is sourced from PubChem (CID 70554989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).