N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide

C20H25NO2 — CID 133163829

IUPACN-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H25NO2/c1-13-6-7-15(3)19(10-13)20(22)21-17(5)12-23-18-9-8-14(2)16(4)11-18/h6-11,17H,12H2,1-5H3,(H,21,22)
InChIKeyNAGRAIWPUKXBEV-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.12
Rot. Bonds5

About N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide

N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide (PubChem CID 133163829) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
PubChem CID133163829
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NC(C)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C20H25NO2/c1-13-6-7-15(3)19(10-13)20(22)21-17(5)12-23-18-9-8-14(2)16(4)11-18/h6-11,17H,12H2,1-5H3,(H,21,22)
InChIKeyNAGRAIWPUKXBEV-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 133262161
2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 100614435
N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]-2,2-dimethylpropanamide
CID 100760780
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096
N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
1-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]-3-(2,5-dimethylphenyl)thiourea
CID 100752115
4-[(2,5-dimethyl-N-methylsulfonylanilino)methyl]-N-[1-(3,4-dimethylphenoxy)propan-2-yl]benzamide
CID 133161598
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 132650444
2-(3-chlorophenyl)-N-[(2S)-1-(3,4-dimethylphenoxy)propan-2-yl]acetamide
CID 100767509

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide (CID 133163829) is N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NC(C)COc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
The InChIKey is NAGRAIWPUKXBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-6-7-15(3)19(10-13)20(22)21-17(5)12-23-18-9-8-14(2)16(4)11-18/h6-11,17H,12H2,1-5H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide?
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide has a molecular weight of 311.43 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 133163829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).