N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide

C15H23NO3 — CID 125463917

IUPACN-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)[C@@H](C)NC(C)=O)cc1OC
InChIInChI=1S/C15H23NO3/c1-10(16-11(2)17)15(3,4)12-7-8-13(18-5)14(9-12)19-6/h7-10H,1-6H3,(H,16,17)/t10-/m1/s1
InChIKeyLJAMNBIWHSVFCW-SNVBAGLBSA-N
MW265.35 g/mol
LogP2.51
Rot. Bonds5

About N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide

N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide (PubChem CID 125463917) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide
PubChem CID125463917
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide
SMILESCOc1ccc(C(C)(C)[C@@H](C)NC(C)=O)cc1OC
InChIInChI=1S/C15H23NO3/c1-10(16-11(2)17)15(3,4)12-7-8-13(18-5)14(9-12)19-6/h7-10H,1-6H3,(H,16,17)/t10-/m1/s1
InChIKeyLJAMNBIWHSVFCW-SNVBAGLBSA-N
XLogP2.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110441193
2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
CID 112519730
N-butan-2-yl-2-(3,4-dimethoxyphenyl)-2-methylpropanamide
CID 110437705
3-(3,4-dimethoxyphenyl)-3-methyl-4-oxopentanoic acid
CID 59956314
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[(1R,3S)-3-acetamido-1,3-bis(3,4-dimethoxyphenyl)propyl]acetamide
CID 14816122
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
2-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120832492
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
2-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 62595876
methyl 2-acetamido-3-(3,4-dimethoxyanilino)propanoate
CID 103232986
2-amino-N-[2-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 110459405

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide?
The IUPAC name of N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide (CID 125463917) is N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide is COc1ccc(C(C)(C)[C@@H](C)NC(C)=O)cc1OC.
What is the InChIKey of N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide?
The InChIKey is LJAMNBIWHSVFCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10(16-11(2)17)15(3,4)12-7-8-13(18-5)14(9-12)19-6/h7-10H,1-6H3,(H,16,17)/t10-/m1/s1.
What are the key properties of N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide?
N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide has a molecular weight of 265.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 125463917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).