N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide

C16H25NO4 — CID 122243919

IUPACN-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide
SMILESCOCC(C)(CNC(=O)CCc1ccc(OC)cc1)OC
InChIInChI=1S/C16H25NO4/c1-16(21-4,12-19-2)11-17-15(18)10-7-13-5-8-14(20-3)9-6-13/h5-6,8-9H,7,10-12H2,1-4H3,(H,17,18)
InChIKeyJZWIUTRLOXBXEK-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.80
Rot. Bonds9

About N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide

N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide (PubChem CID 122243919) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide
PubChem CID122243919
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC NameN-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide
SMILESCOCC(C)(CNC(=O)CCc1ccc(OC)cc1)OC
InChIInChI=1S/C16H25NO4/c1-16(21-4,12-19-2)11-17-15(18)10-7-13-5-8-14(20-3)9-6-13/h5-6,8-9H,7,10-12H2,1-4H3,(H,17,18)
InChIKeyJZWIUTRLOXBXEK-UHFFFAOYSA-N
XLogP1.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-2-hydroxybutyl)-3-(4-methoxyphenyl)propanamide
CID 65112662
N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(4-methoxyphenyl)propanamide
CID 71810627
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyphenyl)acetamide
CID 65109847
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]-3-(4-methylsulfonylphenyl)propanamide
CID 100700105
N-[(4-hydroxyphenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 115577590
N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-methoxyphenyl)propanamide
CID 43390565
N-[(2S)-2-hydroxy-3-methoxy-2-methylpropyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 95987114
3-(4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18107472
N-(3-bromopropyl)-3-(4-methoxyphenyl)propanamide
CID 43133571

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide (CID 122243919) is N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide is COCC(C)(CNC(=O)CCc1ccc(OC)cc1)OC.
What is the InChIKey of N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide?
The InChIKey is JZWIUTRLOXBXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-16(21-4,12-19-2)11-17-15(18)10-7-13-5-8-14(20-3)9-6-13/h5-6,8-9H,7,10-12H2,1-4H3,(H,17,18).
What are the key properties of N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide?
N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide has a molecular weight of 295.38 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethoxy-2-methylpropyl)-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 122243919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).