N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide

C11H16N2O2 — CID 70790159

IUPACN-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
SMILESCNc1cccc(C(=O)N(C)CCO)c1
InChIInChI=1S/C11H16N2O2/c1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14/h3-5,8,12,14H,6-7H2,1-2H3
InChIKeyNTDMNDGXNHPLTH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.79
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide

N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide (PubChem CID 70790159) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
PubChem CID70790159
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide
SMILESCNc1cccc(C(=O)N(C)CCO)c1
InChIInChI=1S/C11H16N2O2/c1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14/h3-5,8,12,14H,6-7H2,1-2H3
InChIKeyNTDMNDGXNHPLTH-UHFFFAOYSA-N
XLogP0.79
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-(methylamino)benzamide;ethane
CID 91408702
N-(cyclobutylmethyl)-N-methyl-3-(methylamino)benzamide
CID 115160920
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
N-tert-butyl-N-methyl-3-(methylamino)benzamide
CID 115160852
3-[3-[2-hydroxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 54971727
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-(methylamino)benzamide
CID 18727714
3-[(3-bromobenzoyl)-methylamino]propanoic acid
CID 60989178
N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
ethane;3-(methylamino)benzamide
CID 142071023
3-(methylamino)benzoic acid;hydrochloride
CID 55250935

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide (CID 70790159) is N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide is CNc1cccc(C(=O)N(C)CCO)c1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide?
The InChIKey is NTDMNDGXNHPLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-12-10-5-3-4-9(8-10)11(15)13(2)6-7-14/h3-5,8,12,14H,6-7H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide?
N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide has a molecular weight of 208.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-3-(methylamino)benzamide is sourced from PubChem (CID 70790159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).