3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide

C18H21NO4 — CID 141115227

IUPAC3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide
SMILESCOC[C@H](C)Oc1cc(Oc2cccc(C)c2)cc(C(N)=O)c1
InChIInChI=1S/C18H21NO4/c1-12-5-4-6-15(7-12)23-17-9-14(18(19)20)8-16(10-17)22-13(2)11-21-3/h4-10,13H,11H2,1-3H3,(H2,19,20)/t13-/m0/s1
InChIKeyHOESQNJZLKQIFH-ZDUSSCGKSA-N
MW315.37 g/mol
LogP3.30
Rot. Bonds7

About 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide

3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide (PubChem CID 141115227) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide.

Molecular Properties

Compound Name3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide
PubChem CID141115227
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide
SMILESCOC[C@H](C)Oc1cc(Oc2cccc(C)c2)cc(C(N)=O)c1
InChIInChI=1S/C18H21NO4/c1-12-5-4-6-15(7-12)23-17-9-14(18(19)20)8-16(10-17)22-13(2)11-21-3/h4-10,13H,11H2,1-3H3,(H2,19,20)/t13-/m0/s1
InChIKeyHOESQNJZLKQIFH-ZDUSSCGKSA-N
XLogP3.30
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
N-carbamothioyl-2-[(2R)-1-methoxypropan-2-yl]oxy-6-(3-methylphenoxy)pyridine-4-carboxamide
CID 87419934
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
6-[[3-(3-chlorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyridine-3-carboxylic acid
CID 54585589
3-[3-(2-methoxyethylcarbamoyl)phenoxy]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1,3-thiazol-2-yl)benzamide
CID 58133624
4-[3-(2-iodoacetyl)-5-(1-methoxypropan-2-yloxy)phenoxy]-N,N-dimethylbenzamide
CID 143092217
3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoic acid
CID 122417329
1-chloro-3-(1-methoxypropan-2-yloxy)benzene
CID 64765471
3-(3,4-dimethylphenoxy)-5-methylbenzamide
CID 143152048
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzamide
CID 143092235
3-methylbenzamide;2-methylpropane
CID 160767336
3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide
CID 15949492

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide?
The IUPAC name of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide (CID 141115227) is 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide.
What is the SMILES notation for 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide?
The canonical SMILES for 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide is COC[C@H](C)Oc1cc(Oc2cccc(C)c2)cc(C(N)=O)c1.
What is the InChIKey of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide?
The InChIKey is HOESQNJZLKQIFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-5-4-6-15(7-12)23-17-9-14(18(19)20)8-16(10-17)22-13(2)11-21-3/h4-10,13H,11H2,1-3H3,(H2,19,20)/t13-/m0/s1.
What are the key properties of 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide?
3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide has a molecular weight of 315.37 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide is sourced from PubChem (CID 141115227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).