4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

C21H27NO2 — CID 19190902

IUPAC4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2C(C)C)c1C
InChIInChI=1S/C21H27NO2/c1-15(2)18-10-5-6-11-19(18)22-21(23)13-8-14-24-20-12-7-9-16(3)17(20)4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,22,23)
InChIKeyKGZFFGMLDQSHQN-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.22
Rot. Bonds7

About 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide

4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (PubChem CID 19190902) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
PubChem CID19190902
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2ccccc2C(C)C)c1C
InChIInChI=1S/C21H27NO2/c1-15(2)18-10-5-6-11-19(18)22-21(23)13-8-14-24-20-12-7-9-16(3)17(20)4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,22,23)
InChIKeyKGZFFGMLDQSHQN-UHFFFAOYSA-N
XLogP5.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

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

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(2,3-dimethylphenoxy)butanamide
CID 19190988
4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19205871
4-(3-methylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 19173643
4-(2,3-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 19190896
4-(2-methylphenoxy)-N-(2-methylphenyl)butanamide
CID 19173284
4-(2,3-dimethylphenoxy)butanehydrazide
CID 63574436
3-(2,5-dimethylphenoxy)-N-(2-propan-2-ylphenyl)propanamide
CID 26290770
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
N-(2,3-dimethylphenyl)-4-(2-nitrophenoxy)butanamide
CID 84550981
N-(2-butoxyphenyl)-4-(3-methyl-4-propan-2-ylphenoxy)butanamide
CID 2072263
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19191042

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide (CID 19190902) is 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is Cc1cccc(OCCCC(=O)Nc2ccccc2C(C)C)c1C.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
The InChIKey is KGZFFGMLDQSHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-15(2)18-10-5-6-11-19(18)22-21(23)13-8-14-24-20-12-7-9-16(3)17(20)4/h5-7,9-12,15H,8,13-14H2,1-4H3,(H,22,23).
What are the key properties of 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide?
4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide has a molecular weight of 325.45 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 19190902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).