2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

C21H27NO2 — CID 46763608

IUPAC2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-6-19(24-20-13-9-10-15(4)16(20)5)21(23)22-18-12-8-7-11-17(18)14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23)
InChIKeySNMJFOLABBYSFU-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.22
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 46763608) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
PubChem CID46763608
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCCC(Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C21H27NO2/c1-6-19(24-20-13-9-10-15(4)16(20)5)21(23)22-18-12-8-7-11-17(18)14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23)
InChIKeySNMJFOLABBYSFU-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
(2S)-2-(2-fluorophenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 9181809
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38007685
(2R)-2-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 41177788
2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 46760567
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(piperidine-1-carbonyl)phenyl]butanamide
CID 38004411

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (CID 46763608) is 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is CCC(Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is SNMJFOLABBYSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-19(24-20-13-9-10-15(4)16(20)5)21(23)22-18-12-8-7-11-17(18)14(2)3/h7-14,19H,6H2,1-5H3,(H,22,23).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 325.45 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 46763608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).