N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide

C20H25NO4 — CID 11841254

IUPACN-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCC(C)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-6-13(2)15-9-7-8-10-16(15)21-20(22)14-11-17(23-3)19(25-5)18(12-14)24-4/h7-13H,6H2,1-5H3,(H,21,22)
InChIKeyLUQNBQSNCJGCMS-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.48
Rot. Bonds7

About N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide

N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 11841254) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID11841254
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCCC(C)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H25NO4/c1-6-13(2)15-9-7-8-10-16(15)21-20(22)14-11-17(23-3)19(25-5)18(12-14)24-4/h7-13H,6H2,1-5H3,(H,21,22)
InChIKeyLUQNBQSNCJGCMS-UHFFFAOYSA-N
XLogP4.48
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 2669248
N-[2-[(2S)-butan-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 2670827
N-[2-[(2R)-butan-2-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2670812
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
3,4,5-trimethoxy-N-(2-propan-2-yloxyphenyl)benzamide
CID 673819
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 3-chloro-4,5-dimethoxybenzoate
CID 7362872
N-[2-[(2R)-butan-2-yl]phenyl]-3-iodobenzamide
CID 2670800
3,4,5-triethoxy-N-(2-propan-2-ylphenyl)benzamide
CID 1350696
N-[2-[(2S)-butan-2-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 959904
N-[2-[(2S)-butan-2-yl]phenyl]-3-(2-methylpropoxy)benzamide
CID 959928
N-(2-butan-2-ylphenyl)-2-(2-methoxyphenyl)acetamide
CID 3725070

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide (CID 11841254) is N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide is CCC(C)c1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is LUQNBQSNCJGCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-6-13(2)15-9-7-8-10-16(15)21-20(22)14-11-17(23-3)19(25-5)18(12-14)24-4/h7-13H,6H2,1-5H3,(H,21,22).
What are the key properties of N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide?
N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 343.42 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 11841254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).