N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide

C20H25NO4 — CID 99993393

IUPACN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
SMILESCC[C@@H](NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-16(15-10-11-18(23-3)19(12-15)24-4)21-20(22)13-25-17-9-7-6-8-14(17)2/h6-12,16H,5,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyFQDGCGSBSFXRDB-MRXNPFEDSA-N
MW343.42 g/mol
LogP3.66
Rot. Bonds8

About N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide

N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide (PubChem CID 99993393) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
PubChem CID99993393
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide
SMILESCC[C@@H](NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-5-16(15-10-11-18(23-3)19(12-15)24-4)21-20(22)13-25-17-9-7-6-8-14(17)2/h6-12,16H,5,13H2,1-4H3,(H,21,22)/t16-/m1/s1
InChIKeyFQDGCGSBSFXRDB-MRXNPFEDSA-N
XLogP3.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 133199402
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133251910
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
2-(2,4-dichlorophenoxy)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]acetamide
CID 99993791
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
3-(3,4-dimethoxyphenyl)-3-[[2-(2-fluorophenoxy)acetyl]amino]propanoic acid
CID 45432854
2-(2,4-dimethylphenoxy)-N-(1-phenylpropyl)acetamide
CID 17328158
N-[1-(3,4-dimethoxyphenyl)propyl]-4-phenoxybutanamide
CID 132653922
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
N-[(1S)-1-(3,4-dimethylphenyl)propyl]-2-(4-methoxyphenoxy)acetamide
CID 99993947
2-(2-bromo-4-tert-butylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 133202649

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide (CID 99993393) is N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide is CC[C@@H](NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is FQDGCGSBSFXRDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25NO4/c1-5-16(15-10-11-18(23-3)19(12-15)24-4)21-20(22)13-25-17-9-7-6-8-14(17)2/h6-12,16H,5,13H2,1-4H3,(H,21,22)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide?
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 99993393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).