2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide

C20H25NO3 — CID 30402642

IUPAC2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C
InChIInChI=1S/C20H25NO3/c1-12-10-14(3)16(11-13(12)2)15(4)21-20(22)19-17(23-5)8-7-9-18(19)24-6/h7-11,15H,1-6H3,(H,21,22)/t15-/m0/s1
InChIKeyQIUCQPRAOPWZLH-HNNXBMFYSA-N
MW327.42 g/mol
LogP4.12
Rot. Bonds5

About 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide

2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide (PubChem CID 30402642) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
PubChem CID30402642
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C
InChIInChI=1S/C20H25NO3/c1-12-10-14(3)16(11-13(12)2)15(4)21-20(22)19-17(23-5)8-7-9-18(19)24-6/h7-11,15H,1-6H3,(H,21,22)/t15-/m0/s1
InChIKeyQIUCQPRAOPWZLH-HNNXBMFYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-3-(2,6-dimethoxyphenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 43906876
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 81394137
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186104
6-[1-(4,5-dimethoxy-2-methylphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119184993
N-but-3-yn-2-yl-2,6-dimethoxybenzamide
CID 114418997
4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide
CID 30402622
N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78875284
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
3-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]aniline
CID 43101704
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2,4-difluoro-6-hydroxybenzamide
CID 99619635

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide (CID 30402642) is 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide is COc1cccc(OC)c1C(=O)N[C@@H](C)c1cc(C)c(C)cc1C.
What is the InChIKey of 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
The InChIKey is QIUCQPRAOPWZLH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-12-10-14(3)16(11-13(12)2)15(4)21-20(22)19-17(23-5)8-7-9-18(19)24-6/h7-11,15H,1-6H3,(H,21,22)/t15-/m0/s1.
What are the key properties of 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide?
2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide has a molecular weight of 327.42 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 30402642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).