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

C20H25NO3 — CID 28632238

IUPACN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H25NO3/c1-13-6-7-16(10-14(13)2)11-20(22)21-15(3)17-8-9-18(23-4)19(12-17)24-5/h6-10,12,15H,11H2,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyKOHFIDIOIYWDSW-HNNXBMFYSA-N
MW327.42 g/mol
LogP3.74
Rot. Bonds6

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

N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 28632238) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID28632238
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCOc1ccc([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1OC
InChIInChI=1S/C20H25NO3/c1-13-6-7-16(10-14(13)2)11-20(22)21-15(3)17-8-9-18(23-4)19(12-17)24-5/h6-10,12,15H,11H2,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyKOHFIDIOIYWDSW-HNNXBMFYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 93236029
N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 8025380
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-(4-methylphenyl)propanamide
CID 43886279
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904361
N-[4-[1-[[2-(3-methoxy-4-methylphenyl)acetyl]amino]ethyl]phenyl]propanamide
CID 55656016
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,5-dimethylphenoxy)acetamide
CID 94048948
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 51410979
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide (CID 28632238) is N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide is COc1ccc([C@H](C)NC(=O)Cc2ccc(C)c(C)c2)cc1OC.
What is the InChIKey of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is KOHFIDIOIYWDSW-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-13-6-7-16(10-14(13)2)11-20(22)21-15(3)17-8-9-18(23-4)19(12-17)24-5/h6-10,12,15H,11H2,1-5H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 327.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 28632238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).