2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

C20H25NO3 — CID 93236029

IUPAC2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO3/c1-5-15-6-9-17(10-7-15)14(2)21-20(22)13-16-8-11-18(23-3)19(12-16)24-4/h6-12,14H,5,13H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyMJTGTPYSAZEYQA-AWEZNQCLSA-N
MW327.42 g/mol
LogP3.69
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 93236029) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID93236029
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H25NO3/c1-5-15-6-9-17(10-7-15)14(2)21-20(22)13-16-8-11-18(23-3)19(12-16)24-4/h6-12,14H,5,13H2,1-4H3,(H,21,22)/t14-/m0/s1
InChIKeyMJTGTPYSAZEYQA-AWEZNQCLSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 8025380
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenyl)acetamide
CID 133201762
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329640
2-(4-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 17329407
2-(3,4-dimethoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 26883011
[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667459
N-[4-[1-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]ethyl]phenyl]propanamide
CID 55656016
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[1-(4-ethylphenyl)ethyl]-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108796001

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide (CID 93236029) is 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is MJTGTPYSAZEYQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25NO3/c1-5-15-6-9-17(10-7-15)14(2)21-20(22)13-16-8-11-18(23-3)19(12-16)24-4/h6-12,14H,5,13H2,1-4H3,(H,21,22)/t14-/m0/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 93236029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).