N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide

C12H18N2O3 — CID 61351225

IUPACN-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
SMILESCCN(CCN)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H18N2O3/c1-3-14(7-6-13)12(16)10-5-4-9(17-2)8-11(10)15/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyCHGJHDJUMDGBQQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.82
Rot. Bonds5

About N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide

N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide (PubChem CID 61351225) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
PubChem CID61351225
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
SMILESCCN(CCN)C(=O)c1ccc(OC)cc1O
InChIInChI=1S/C12H18N2O3/c1-3-14(7-6-13)12(16)10-5-4-9(17-2)8-11(10)15/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyCHGJHDJUMDGBQQ-UHFFFAOYSA-N
XLogP0.82
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-2-hydroxy-4-methoxy-N-propylbenzamide
CID 43319215
N-(3-amino-2-methylpropyl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 54987801
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-hydroxy-4-methoxybenzamide
CID 60717216
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
N-(2-aminoethyl)-N-butyl-2-fluoro-4-methoxybenzamide
CID 102885358
N-(2-chloroethyl)-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102885106
2-amino-N-(2-cyanoethyl)-N-ethyl-4-methoxybenzamide
CID 113305145
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102884787
2-[[2-(diethylcarbamoyl)-5-methoxyphenyl]diselanyl]-N,N-diethyl-4-methoxybenzamide
CID 135053285
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
N-(azetidin-3-yl)-N-ethyl-2-hydroxy-4-methoxybenzamide
CID 66184450

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide (CID 61351225) is N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide is CCN(CCN)C(=O)c1ccc(OC)cc1O.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
The InChIKey is CHGJHDJUMDGBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-14(7-6-13)12(16)10-5-4-9(17-2)8-11(10)15/h4-5,8,15H,3,6-7,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide?
N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 61351225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).