2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide

C21H27NO3 — CID 17150650

IUPAC2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27NO3/c1-5-15(3)16-11-7-9-13-19(16)25-18(6-2)21(23)22-17-12-8-10-14-20(17)24-4/h7-15,18H,5-6H2,1-4H3,(H,22,23)
InChIKeyOCKKBWDQUDLGBU-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.00
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide

2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide (PubChem CID 17150650) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
PubChem CID17150650
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C21H27NO3/c1-5-15(3)16-11-7-9-13-19(16)25-18(6-2)21(23)22-17-12-8-10-14-20(17)24-4/h7-15,18H,5-6H2,1-4H3,(H,22,23)
InChIKeyOCKKBWDQUDLGBU-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-butan-2-ylphenoxy)-N-(2,3-dichlorophenyl)butanamide
CID 17150644
2-(2-butan-2-ylphenoxy)-N-[4-[4-[2-(2-butan-2-ylphenoxy)butanoylamino]-3-methylphenyl]-2-methylphenyl]butanamide
CID 23013474
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-(4-ethylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 53288679
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
2-[[(2R)-2-(2-methoxyphenoxy)butanoyl]amino]benzamide
CID 99132395
2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
CID 17150622
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43915072

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide (CID 17150650) is 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide?
The InChIKey is OCKKBWDQUDLGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-15(3)16-11-7-9-13-19(16)25-18(6-2)21(23)22-17-12-8-10-14-20(17)24-4/h7-15,18H,5-6H2,1-4H3,(H,22,23).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide?
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide has a molecular weight of 341.45 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide is sourced from PubChem (CID 17150650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).