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

C20H25NO4 — CID 16549124

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NC(C)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H25NO4/c1-12-7-8-13(2)15(9-12)14(3)21-20(22)16-10-18(24-5)19(25-6)11-17(16)23-4/h7-11,14H,1-6H3,(H,21,22)
InChIKeyFLDSVYOEPTVTGJ-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.82
Rot. Bonds6

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

N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide (PubChem CID 16549124) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
PubChem CID16549124
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)NC(C)c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C20H25NO4/c1-12-7-8-13(2)15(9-12)14(3)21-20(22)16-10-18(24-5)19(25-6)11-17(16)23-4/h7-11,14H,1-6H3,(H,21,22)
InChIKeyFLDSVYOEPTVTGJ-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-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-methoxynaphthalene-2-carboxamide
CID 92646642
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3,4-dimethylbenzamide
CID 84966349
N-(2,5-dimethylphenyl)-2,4,5-trimethoxybenzamide
CID 2596685
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 63110602
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide (CID 16549124) is N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)NC(C)c2cc(C)ccc2C)cc1OC.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide?
The InChIKey is FLDSVYOEPTVTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-12-7-8-13(2)15(9-12)14(3)21-20(22)16-10-18(24-5)19(25-6)11-17(16)23-4/h7-11,14H,1-6H3,(H,21,22).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-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-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 16549124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).