N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

C20H25NO2 — CID 17285343

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-6-15(2)19(13-14)16(3)21-20(22)12-9-17-7-10-18(23-4)11-8-17/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,21,22)
InChIKeyFHQSGAOWSRGQMF-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.12
Rot. Bonds6

About N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide

N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 17285343) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID17285343
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC(C)c2cc(C)ccc2C)cc1
InChIInChI=1S/C20H25NO2/c1-14-5-6-15(2)19(13-14)16(3)21-20(22)12-9-17-7-10-18(23-4)11-8-17/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,21,22)
InChIKeyFHQSGAOWSRGQMF-UHFFFAOYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 93239788
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
N-[1-(2,5-dimethylphenyl)ethyl]-3-phenylpropanamide
CID 17327195
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 26752989
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
3-(3,4-diethoxyphenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 38005769
N-[1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 43009880
4-[3-[1-(2-methoxy-5-methylphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119179775
3-(1,3-benzodioxol-5-yl)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 93239790
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propanamide
CID 17327223

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide (CID 17285343) is N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC(C)c2cc(C)ccc2C)cc1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is FHQSGAOWSRGQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-14-5-6-15(2)19(13-14)16(3)21-20(22)12-9-17-7-10-18(23-4)11-8-17/h5-8,10-11,13,16H,9,12H2,1-4H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide?
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 17285343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).