N-(2,3-dimethylphenyl)-2-phenoxybutanamide

C18H21NO2 — CID 2850422

IUPACN-(2,3-dimethylphenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C18H21NO2/c1-4-17(21-15-10-6-5-7-11-15)18(20)19-16-12-8-9-13(2)14(16)3/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyDVVYQJKUJPEWMV-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.10
Rot. Bonds5

About N-(2,3-dimethylphenyl)-2-phenoxybutanamide

N-(2,3-dimethylphenyl)-2-phenoxybutanamide (PubChem CID 2850422) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-phenoxybutanamide
PubChem CID2850422
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC NameN-(2,3-dimethylphenyl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C18H21NO2/c1-4-17(21-15-10-6-5-7-11-15)18(20)19-16-12-8-9-13(2)14(16)3/h5-12,17H,4H2,1-3H3,(H,19,20)
InChIKeyDVVYQJKUJPEWMV-UHFFFAOYSA-N
XLogP4.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-phenoxybutanamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-phenoxybutanamide (CID 2850422) is N-(2,3-dimethylphenyl)-2-phenoxybutanamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-phenoxybutanamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-phenoxybutanamide?
The InChIKey is DVVYQJKUJPEWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-4-17(21-15-10-6-5-7-11-15)18(20)19-16-12-8-9-13(2)14(16)3/h5-12,17H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(2,3-dimethylphenyl)-2-phenoxybutanamide?
N-(2,3-dimethylphenyl)-2-phenoxybutanamide has a molecular weight of 283.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-phenoxybutanamide is sourced from PubChem (CID 2850422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).