3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide

C15H23NO4 — CID 92527695

IUPAC3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-9(2)10(3)16-15(17)11-7-12(18-4)14(20-6)13(8-11)19-5/h7-10H,1-6H3,(H,16,17)/t10-/m0/s1
InChIKeyXEYDMEXOIHYCJY-JTQLQIEISA-N
MW281.35 g/mol
LogP2.49
Rot. Bonds6

About 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide

3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide (PubChem CID 92527695) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
PubChem CID92527695
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)C(C)C)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-9(2)10(3)16-15(17)11-7-12(18-4)14(20-6)13(8-11)19-5/h7-10H,1-6H3,(H,16,17)/t10-/m0/s1
InChIKeyXEYDMEXOIHYCJY-JTQLQIEISA-N
XLogP2.49
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(3-methylbutan-2-yl)-5-prop-2-enylbenzamide
CID 43035063
N-(4-bromobutan-2-yl)-3,4,5-trimethoxybenzamide
CID 83178838
4-methyl-2-[(3,4,5-trimethoxybenzoyl)amino]pentanoic acid
CID 16772294
N-(1-cyanopropan-2-yl)-3,4,5-trimethoxybenzamide
CID 62090267
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
3,4,5-trimethoxy-N-sulfanylbenzamide
CID 59695341
3-amino-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43131167
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
3,4,5-trimethoxy-N-[(2R)-1-phenylpropan-2-yl]benzamide
CID 888468
3-bromo-2-methoxy-5-(3-methylbutan-2-ylcarbamoyl)benzenesulfonyl chloride
CID 65370671
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
CID 42702287

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide (CID 92527695) is 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide is COc1cc(C(=O)N[C@@H](C)C(C)C)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
The InChIKey is XEYDMEXOIHYCJY-JTQLQIEISA-N. The full InChI is InChI=1S/C15H23NO4/c1-9(2)10(3)16-15(17)11-7-12(18-4)14(20-6)13(8-11)19-5/h7-10H,1-6H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide?
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide has a molecular weight of 281.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 92527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).