N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide

C18H21NO3 — CID 2894493

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C18H21NO3/c1-12-7-5-6-8-15(12)18(20)19-13(2)14-9-10-16(21-3)17(11-14)22-4/h5-11,13H,1-4H3,(H,19,20)
InChIKeyOGRMHAAJBNGUPQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide (PubChem CID 2894493) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
PubChem CID2894493
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccccc2C)cc1OC
InChIInChI=1S/C18H21NO3/c1-12-7-5-6-8-15(12)18(20)19-13(2)14-9-10-16(21-3)17(11-14)22-4/h5-11,13H,1-4H3,(H,19,20)
InChIKeyOGRMHAAJBNGUPQ-UHFFFAOYSA-N
XLogP3.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 17329397
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 134059754
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-(1-phenylethyl)oxamide
CID 108507825
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
2-[[(2-aminoacetyl)amino]methyl]-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 170337629
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 43875279
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,5-difluorobenzamide
CID 28560307

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide (CID 2894493) is N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide is COc1ccc(C(C)NC(=O)c2ccccc2C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
The InChIKey is OGRMHAAJBNGUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-12-7-5-6-8-15(12)18(20)19-13(2)14-9-10-16(21-3)17(11-14)22-4/h5-11,13H,1-4H3,(H,19,20).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide is sourced from PubChem (CID 2894493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).