2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide

C21H27NO3 — CID 53288985

IUPAC2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
SMILESCCOc1cccc(CNC(=O)C(CC)Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H27NO3/c1-5-20(25-19-11-15(3)10-16(4)12-19)21(23)22-14-17-8-7-9-18(13-17)24-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyHNSLJQDOXHZQBO-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.18
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide

2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide (PubChem CID 53288985) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
PubChem CID53288985
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
SMILESCCOc1cccc(CNC(=O)C(CC)Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C21H27NO3/c1-5-20(25-19-11-15(3)10-16(4)12-19)21(23)22-14-17-8-7-9-18(13-17)24-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,22,23)
InChIKeyHNSLJQDOXHZQBO-UHFFFAOYSA-N
XLogP4.18
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99133296
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
(2S)-N-[(4-fluorophenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 99131487
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylphenoxy)butanamide
CID 46769433
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide (CID 53288985) is 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide is CCOc1cccc(CNC(=O)C(CC)Oc2cc(C)cc(C)c2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
The InChIKey is HNSLJQDOXHZQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-5-20(25-19-11-15(3)10-16(4)12-19)21(23)22-14-17-8-7-9-18(13-17)24-6-2/h7-13,20H,5-6,14H2,1-4H3,(H,22,23).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide has a molecular weight of 341.45 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 53288985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).