N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide

C20H25NO3 — CID 7311223

IUPACN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2ccccc2)cc1OCC
InChIInChI=1S/C20H25NO3/c1-4-23-18-12-11-17(14-19(18)24-5-2)15(3)21-20(22)13-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyUVCMJLFKRQYYFH-HNNXBMFYSA-N
MW327.42 g/mol
LogP3.90
Rot. Bonds8

About N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide (PubChem CID 7311223) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
PubChem CID7311223
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC NameN-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
SMILESCCOc1ccc([C@H](C)NC(=O)Cc2ccccc2)cc1OCC
InChIInChI=1S/C20H25NO3/c1-4-23-18-12-11-17(14-19(18)24-5-2)15(3)21-20(22)13-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,22)/t15-/m0/s1
InChIKeyUVCMJLFKRQYYFH-HNNXBMFYSA-N
XLogP3.90
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-fluorophenyl)acetamide
CID 9437325
2-(3-bromophenyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 100701725
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(2,4-dimethylphenyl)acetamide
CID 100755758
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide?
The IUPAC name of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide (CID 7311223) is N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide?
The canonical SMILES for N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide is CCOc1ccc([C@H](C)NC(=O)Cc2ccccc2)cc1OCC.
What is the InChIKey of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide?
The InChIKey is UVCMJLFKRQYYFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-23-18-12-11-17(14-19(18)24-5-2)15(3)21-20(22)13-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H,21,22)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide?
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide has a molecular weight of 327.42 g/mol, XLogP of 3.90, 8 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-diethoxyphenyl)ethyl]-2-phenylacetamide is sourced from PubChem (CID 7311223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).