N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide

C18H19NO2 — CID 17130400

IUPACN-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-13(2)12-21-17-10-5-4-9-16(17)18(20)19-15-8-6-7-14(3)11-15/h4-11H,1,12H2,2-3H3,(H,19,20)
InChIKeyJEFZXVVBSDJLGI-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.20
Rot. Bonds5

About N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide

N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide (PubChem CID 17130400) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
PubChem CID17130400
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide
SMILESC=C(C)COc1ccccc1C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H19NO2/c1-13(2)12-21-17-10-5-4-9-16(17)18(20)19-15-8-6-7-14(3)11-15/h4-11H,1,12H2,2-3H3,(H,19,20)
InChIKeyJEFZXVVBSDJLGI-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
2-(2-methylprop-2-enoxy)-N-[3-(2-phenoxyethoxy)phenyl]benzamide
CID 17130494
N-(4-anilinophenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130408
N-(3-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130484
2-[2-(dimethylamino)ethoxy]-N-(3-methylphenyl)benzamide
CID 86991936
2-ethoxy-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 1228354
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
N-(3-methylphenyl)-2-(2-propanoylphenoxy)acetamide
CID 24693195
2-(3-methylbutoxy)-N-[3-[(3-methylphenyl)carbamoyl]phenyl]benzamide
CID 26164686
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810
N-(4-hexoxyphenyl)-2-(2-methylprop-2-enoxy)benzamide
CID 17130457

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide?
The IUPAC name of N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide (CID 17130400) is N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide.
What is the SMILES notation for N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide?
The canonical SMILES for N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide is C=C(C)COc1ccccc1C(=O)Nc1cccc(C)c1.
What is the InChIKey of N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide?
The InChIKey is JEFZXVVBSDJLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-13(2)12-21-17-10-5-4-9-16(17)18(20)19-15-8-6-7-14(3)11-15/h4-11H,1,12H2,2-3H3,(H,19,20).
What are the key properties of N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide?
N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide has a molecular weight of 281.36 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-2-(2-methylprop-2-enoxy)benzamide is sourced from PubChem (CID 17130400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).