N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide

C13H20N2O2 — CID 110761060

IUPACN-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCN(C)C
InChIInChI=1S/C13H20N2O2/c1-10-5-6-12(17-4)11(9-10)13(16)14-7-8-15(2)3/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyKYIGYBMGDCAKAY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.30
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide

N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide (PubChem CID 110761060) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
PubChem CID110761060
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
SMILESCOc1ccc(C)cc1C(=O)NCCN(C)C
InChIInChI=1S/C13H20N2O2/c1-10-5-6-12(17-4)11(9-10)13(16)14-7-8-15(2)3/h5-6,9H,7-8H2,1-4H3,(H,14,16)
InChIKeyKYIGYBMGDCAKAY-UHFFFAOYSA-N
XLogP1.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)ethyl]-2-methoxy-5-phenylbenzamide
CID 110408034
N-(4-bromobutyl)-2-methoxy-5-methylbenzamide
CID 106846001
2-methoxy-5-methyl-N-(2-sulfamoylethyl)benzamide
CID 61066846
N-(3-azidopropyl)-2-methoxy-5-methylbenzamide
CID 62503381
N-[[4-(dimethylamino)phenyl]methyl]-2-methoxy-5-methylbenzamide
CID 9305214
N-[3-(dimethylamino)propyl]-2,4-dimethylbenzamide
CID 19656256
5-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-methoxybenzamide
CID 62634324
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110763107
2-methoxy-5-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 64994334
N-[2-(dimethylamino)ethyl]-4-(hydroxyamino)-3-methoxybenzamide
CID 89277781
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-5-methylbenzamide
CID 31336337
N-[2-(dimethylamino)ethyl]-2-[(2-methoxy-5-methylphenyl)sulfonylamino]acetamide
CID 112991494

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide (CID 110761060) is N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide is COc1ccc(C)cc1C(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
The InChIKey is KYIGYBMGDCAKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10-5-6-12(17-4)11(9-10)13(16)14-7-8-15(2)3/h5-6,9H,7-8H2,1-4H3,(H,14,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide?
N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 110761060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).