6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride

C21H26ClNO5 — CID 67699495

IUPAC6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride
SMILESCOc1cc(C(=O)CC(CCC(N)=O)c2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C21H25NO5.ClH/c1-25-18-12-16(13-19(26-2)21(18)27-3)17(23)11-15(9-10-20(22)24)14-7-5-4-6-8-14;/h4-8,12-13,15H,9-11H2,1-3H3,(H2,22,24);1H
InChIKeyVPCIXCTZVOVQCG-UHFFFAOYSA-N
MW407.89 g/mol
LogP3.76
Rot. Bonds10

About 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride

6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride (PubChem CID 67699495) has the molecular formula C21H26ClNO5 and a molecular weight of 407.89 g/mol. Its IUPAC name is 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride.

Molecular Properties

Compound Name6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride
PubChem CID67699495
Molecular FormulaC21H26ClNO5
Molecular Weight407.89 g/mol
Exact Mass407.15
IUPAC Name6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride
SMILESCOc1cc(C(=O)CC(CCC(N)=O)c2ccccc2)cc(OC)c1OC.Cl
InChIInChI=1S/C21H25NO5.ClH/c1-25-18-12-16(13-19(26-2)21(18)27-3)17(23)11-15(9-10-20(22)24)14-7-5-4-6-8-14;/h4-8,12-13,15H,9-11H2,1-3H3,(H2,22,24);1H
InChIKeyVPCIXCTZVOVQCG-UHFFFAOYSA-N
XLogP3.76
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-diphenyl-3-(3,4,5-trimethoxyphenyl)pentane-1,5-dione
CID 2731026
3-[1-(4-chlorophenyl)-1,5-dioxo-5-(3,4,5-trimethoxyphenyl)pentan-3-yl]benzoic acid
CID 10458520
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215
2-amino-1-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 22281599
(1-hydroxy-1-phenylpropan-2-yl)-[3-oxo-3-(3,4,5-trimethoxyphenyl)propyl]azanium chloride
CID 110174232
2-phenyl-4-(3,4,5-trimethoxyphenyl)butanamide
CID 175712395
(2S)-5-amino-5-oxo-2-[[4-(4-phenylphenyl)benzoyl]-[(3,4,5-trimethoxyphenyl)methyl]amino]pentanoic acid
CID 67333226
3-amino-4-pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 67619578
2-(4-acetamidophenyl)-4-oxo-4-(3,4,5-trimethoxyphenyl)butanamide
CID 67699861
3-amino-4-(4-aminophenyl)-1-(3,4,5-trimethoxyphenyl)butan-1-one;dihydrochloride
CID 67619593
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
3-methylbutyl (2S)-2-phenyl-2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40551436

Frequently Asked Questions

What is the IUPAC name of 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride?
The IUPAC name of 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride (CID 67699495) is 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride.
What is the SMILES notation for 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride?
The canonical SMILES for 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride is COc1cc(C(=O)CC(CCC(N)=O)c2ccccc2)cc(OC)c1OC.Cl.
What is the InChIKey of 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride?
The InChIKey is VPCIXCTZVOVQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5.ClH/c1-25-18-12-16(13-19(26-2)21(18)27-3)17(23)11-15(9-10-20(22)24)14-7-5-4-6-8-14;/h4-8,12-13,15H,9-11H2,1-3H3,(H2,22,24);1H.
What are the key properties of 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride?
6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride has a molecular weight of 407.89 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-4-phenyl-6-(3,4,5-trimethoxyphenyl)hexanamide;hydrochloride is sourced from PubChem (CID 67699495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).