N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide

C21H25NO3 — CID 17161663

IUPACN-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C21H25NO3/c1-5-16(4)25-20-11-7-9-18(13-20)22-21(23)17-8-6-10-19(12-17)24-14-15(2)3/h6-13,16H,2,5,14H2,1,3-4H3,(H,22,23)
InChIKeyNVKISADBINQPDV-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.07
Rot. Bonds8

About N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide

N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide (PubChem CID 17161663) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
PubChem CID17161663
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC NameN-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1cccc(C(=O)Nc2cccc(OC(C)CC)c2)c1
InChIInChI=1S/C21H25NO3/c1-5-16(4)25-20-11-7-9-18(13-20)22-21(23)17-8-6-10-19(12-17)24-14-15(2)3/h6-13,16H,2,5,14H2,1,3-4H3,(H,22,23)
InChIKeyNVKISADBINQPDV-UHFFFAOYSA-N
XLogP5.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
3-butan-2-yloxy-N-[3-(3-methylbutoxy)phenyl]benzamide
CID 17149831
3-(2-methylprop-2-enoxy)-N-(3-prop-2-enoxyphenyl)benzamide
CID 17133121
3-chloro-N-[3-(2-methylprop-2-enoxy)phenyl]benzamide
CID 17122474
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
methyl 4-[[3-(2-methylprop-2-enoxy)phenyl]carbamoyl]benzoate
CID 17178302
methyl 4-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17178329
2-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 62328427
3-butan-2-yloxy-N-[[3-(2-methoxyethoxy)phenyl]carbamothioyl]benzamide
CID 17170066

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide (CID 17161663) is N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1cccc(C(=O)Nc2cccc(OC(C)CC)c2)c1.
What is the InChIKey of N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide?
The InChIKey is NVKISADBINQPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-5-16(4)25-20-11-7-9-18(13-20)22-21(23)17-8-6-10-19(12-17)24-14-15(2)3/h6-13,16H,2,5,14H2,1,3-4H3,(H,22,23).
What are the key properties of N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide?
N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide has a molecular weight of 339.44 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yloxyphenyl)-3-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17161663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).