3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide

C21H27NO3 — CID 86941710

IUPAC3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide
SMILESCOc1cccc(CC(C)NC(=O)CCOc2cc(C)ccc2C)c1
InChIInChI=1S/C21H27NO3/c1-15-8-9-16(2)20(12-15)25-11-10-21(23)22-17(3)13-18-6-5-7-19(14-18)24-4/h5-9,12,14,17H,10-11,13H2,1-4H3,(H,22,23)
InChIKeyDQSRJOPSVROYMN-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.83
Rot. Bonds8

About 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide

3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide (PubChem CID 86941710) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide
PubChem CID86941710
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide
SMILESCOc1cccc(CC(C)NC(=O)CCOc2cc(C)ccc2C)c1
InChIInChI=1S/C21H27NO3/c1-15-8-9-16(2)20(12-15)25-11-10-21(23)22-17(3)13-18-6-5-7-19(14-18)24-4/h5-9,12,14,17H,10-11,13H2,1-4H3,(H,22,23)
InChIKeyDQSRJOPSVROYMN-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
4-(4-fluorophenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 86941749
3-[1-(3-methoxyphenyl)propan-2-yl]-1-methyl-1-[2-(3-methylphenoxy)ethyl]urea
CID 86943339
(2R)-2-[3-(2,5-dimethylphenoxy)propanoylamino]propanoic acid
CID 54991126
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
2-(2,5-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977879
4-[3-[1-(3-methoxyphenyl)propan-2-ylamino]-3-oxopropyl]benzoic acid
CID 119185222
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
2-(2-methoxyanilino)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96534561
N-[1-(3-methoxyphenyl)propan-2-yl]-2,5-dimethylbenzenesulfonamide
CID 86943047

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide (CID 86941710) is 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide is COc1cccc(CC(C)NC(=O)CCOc2cc(C)ccc2C)c1.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide?
The InChIKey is DQSRJOPSVROYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15-8-9-16(2)20(12-15)25-11-10-21(23)22-17(3)13-18-6-5-7-19(14-18)24-4/h5-9,12,14,17H,10-11,13H2,1-4H3,(H,22,23).
What are the key properties of 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide?
3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-[1-(3-methoxyphenyl)propan-2-yl]propanamide is sourced from PubChem (CID 86941710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).