2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

C20H25NO2 — CID 53283832

IUPAC2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)23-19-7-5-6-17(11-19)13-21-20(22)12-18-10-15(3)8-9-16(18)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyOJHTZZKTCGMPOL-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.95
Rot. Bonds6

About 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide

2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 53283832) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID53283832
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
SMILESCc1ccc(C)c(CC(=O)NCc2cccc(OC(C)C)c2)c1
InChIInChI=1S/C20H25NO2/c1-14(2)23-19-7-5-6-17(11-19)13-21-20(22)12-18-10-15(3)8-9-16(18)4/h5-11,14H,12-13H2,1-4H3,(H,21,22)
InChIKeyOJHTZZKTCGMPOL-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 86888872
2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 53282002
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
2-(2,5-dimethylphenyl)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 38002281
2-(3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 43904963
2-methyl-1-[(2-methylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]guanidine
CID 111360583
2-[N-(benzenesulfonyl)-2,4-dimethylanilino]-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30175478
2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide
CID 30212679
N-[2-[(3-propan-2-yloxyphenyl)methylcarbamoylamino]ethyl]acetamide
CID 122556142
2-(2,5-dimethylphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 83952174
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
N-(3-aminopropyl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
CID 119405627

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide (CID 53283832) is 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is Cc1ccc(C)c(CC(=O)NCc2cccc(OC(C)C)c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is OJHTZZKTCGMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14(2)23-19-7-5-6-17(11-19)13-21-20(22)12-18-10-15(3)8-9-16(18)4/h5-11,14H,12-13H2,1-4H3,(H,21,22).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide?
2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(3-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 53283832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).