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

C20H25NO — CID 133230643

IUPACN-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C20H25NO/c1-12-7-8-18(10-14(12)3)17(6)21-20(22)19-11-15(4)13(2)9-16(19)5/h7-11,17H,1-6H3,(H,21,22)
InChIKeyIENOGTVIRYMYQQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.72
Rot. Bonds3

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

N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide (PubChem CID 133230643) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
PubChem CID133230643
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC NameN-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
SMILESCc1ccc(C(C)NC(=O)c2cc(C)c(C)cc2C)cc1C
InChIInChI=1S/C20H25NO/c1-12-7-8-18(10-14(12)3)17(6)21-20(22)19-11-15(4)13(2)9-16(19)5/h7-11,17H,1-6H3,(H,21,22)
InChIKeyIENOGTVIRYMYQQ-UHFFFAOYSA-N
XLogP4.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230614
N-[(1S)-1-(4-ethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 100712064
2,4,5-trimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 133191038
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
CID 133262276
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729
5-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzamide
CID 107868933
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
3,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 94195982
6-bromo-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]naphthalene-2-carboxamide
CID 67105818
2-[2-[1-(3,4-dimethylphenyl)ethylcarbamoyl]phenyl]sulfanylpropanoic acid
CID 119180729
5-[[(1R)-1-(3,4-dimethylphenyl)ethyl]carbamoyl]furan-2-carboxylic acid
CID 129466583
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 94843369

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide (CID 133230643) is N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide is Cc1ccc(C(C)NC(=O)c2cc(C)c(C)cc2C)cc1C.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
The InChIKey is IENOGTVIRYMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-12-7-8-18(10-14(12)3)17(6)21-20(22)19-11-15(4)13(2)9-16(19)5/h7-11,17H,1-6H3,(H,21,22).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide?
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide has a molecular weight of 295.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide is sourced from PubChem (CID 133230643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).