4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide

C24H33NO4 — CID 143092273

IUPAC4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide
SMILESCCC(C)(C)c1cc(Oc2ccc(C(=O)N(C)C)cc2)cc(OC(C)COC)c1
InChIInChI=1S/C24H33NO4/c1-8-24(3,4)19-13-21(28-17(2)16-27-7)15-22(14-19)29-20-11-9-18(10-12-20)23(26)25(5)6/h9-15,17H,8,16H2,1-7H3
InChIKeyJPDDHPBPJUOSKP-UHFFFAOYSA-N
MW399.53 g/mol
LogP5.28
Rot. Bonds9

About 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide

4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide (PubChem CID 143092273) has the molecular formula C24H33NO4 and a molecular weight of 399.53 g/mol. Its IUPAC name is 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide
PubChem CID143092273
Molecular FormulaC24H33NO4
Molecular Weight399.53 g/mol
Exact Mass399.24
IUPAC Name4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide
SMILESCCC(C)(C)c1cc(Oc2ccc(C(=O)N(C)C)cc2)cc(OC(C)COC)c1
InChIInChI=1S/C24H33NO4/c1-8-24(3,4)19-13-21(28-17(2)16-27-7)15-22(14-19)29-20-11-9-18(10-12-20)23(26)25(5)6/h9-15,17H,8,16H2,1-7H3
InChIKeyJPDDHPBPJUOSKP-UHFFFAOYSA-N
XLogP5.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(2-iodoacetyl)-5-(1-methoxypropan-2-yloxy)phenoxy]-N,N-dimethylbenzamide
CID 143092217
N-[(Z)-1-amino-3-(methylamino)prop-2-enylidene]-3-[4-(dimethylcarbamoyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzamide
CID 143092235
3-[4-(azetidine-1-carbonyl)phenoxy]-5-(1-methoxypropan-2-yloxy)benzoic acid
CID 122417329
methyl 3-[(2S)-1-methoxypropan-2-yl]oxy-5-phenoxybenzoate
CID 58265939
3-(3,4-difluorophenoxy)-5-[(2S)-1-methoxypropan-2-yl]oxybenzoic acid
CID 66970037
4-[3-(1-methoxypropan-2-yloxy)-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 67489349
4-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 58133630
3-[3-(1H-imidazo[4,5-b]pyridin-2-yl)-5-[(2S)-1-methoxypropan-2-yl]oxyphenoxy]-N,N-dimethylbenzamide
CID 15949492
3-[4-(dimethylsulfamoyl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(1-methylpyrazol-3-yl)benzamide
CID 69187173
N,N-dimethyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenoxy]benzamide
CID 158611008
3-[(2S)-1-methoxypropan-2-yl]oxy-5-(3-methylphenoxy)benzamide
CID 141115227
3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)aniline
CID 59627783

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide (CID 143092273) is 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide is CCC(C)(C)c1cc(Oc2ccc(C(=O)N(C)C)cc2)cc(OC(C)COC)c1.
What is the InChIKey of 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide?
The InChIKey is JPDDHPBPJUOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO4/c1-8-24(3,4)19-13-21(28-17(2)16-27-7)15-22(14-19)29-20-11-9-18(10-12-20)23(26)25(5)6/h9-15,17H,8,16H2,1-7H3.
What are the key properties of 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide?
4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide has a molecular weight of 399.53 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxypropan-2-yloxy)-5-(2-methylbutan-2-yl)phenoxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 143092273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).