N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide

C20H25NO4 — CID 2807075

IUPACN-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-12-7-8-16(13(2)9-12)14(3)21-20(22)15-10-17(23-4)19(25-6)18(11-15)24-5/h7-11,14H,1-6H3,(H,21,22)
InChIKeyLPKRBIPBHPAWQH-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.82
Rot. Bonds6

About N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide

N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 2807075) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
PubChem CID2807075
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2ccc(C)cc2C)cc(OC)c1OC
InChIInChI=1S/C20H25NO4/c1-12-7-8-16(13(2)9-12)14(3)21-20(22)15-10-17(23-4)19(25-6)18(11-15)24-5/h7-11,14H,1-6H3,(H,21,22)
InChIKeyLPKRBIPBHPAWQH-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-(2,4-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17327516
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-4-ethoxybenzamide
CID 94843664
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 112762358
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
3,4,5-trimethoxy-N-[(2S)-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 9366092
3,5-difluoro-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 9262765
N-[1-(2,4-dimethylphenyl)ethyl]-5-methylthiophene-3-carboxamide
CID 17327781
3-bromo-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylbenzamide
CID 81457779
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide (CID 2807075) is N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(C)c2ccc(C)cc2C)cc(OC)c1OC.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is LPKRBIPBHPAWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-12-7-8-16(13(2)9-12)14(3)21-20(22)15-10-17(23-4)19(25-6)18(11-15)24-5/h7-11,14H,1-6H3,(H,21,22).
What are the key properties of N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide?
N-[1-(2,4-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-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 2807075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).