N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide

C20H25NO4 — CID 17326429

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-12-7-8-15(9-13(12)2)14(3)21-20(22)16-10-17(23-4)19(25-6)18(11-16)24-5/h7-11,14H,1-6H3,(H,21,22)
InChIKeyXLGNLRDSJIEVHW-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.82
Rot. Bonds6

About N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide

N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 17326429) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID17326429
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(C)c(C)c2)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-12-7-8-15(9-13(12)2)14(3)21-20(22)16-10-17(23-4)19(25-6)18(11-16)24-5/h7-11,14H,1-6H3,(H,21,22)
InChIKeyXLGNLRDSJIEVHW-UHFFFAOYSA-N
XLogP3.82
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
3-methoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26009148
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide (CID 17326429) is N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(C)c2ccc(C)c(C)c2)cc(OC)c1OC.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is XLGNLRDSJIEVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-12-7-8-15(9-13(12)2)14(3)21-20(22)16-10-17(23-4)19(25-6)18(11-16)24-5/h7-11,14H,1-6H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 343.42 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17326429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).