N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide

C13H20N2O3 — CID 143076644

IUPACN-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide
SMILESCCOCCN(C)C(=O)c1cccc(NC)c1O
InChIInChI=1S/C13H20N2O3/c1-4-18-9-8-15(3)13(17)10-6-5-7-11(14-2)12(10)16/h5-7,14,16H,4,8-9H2,1-3H3
InChIKeyMPHKRKIJOZQBSU-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.54
Rot. Bonds6

About N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide

N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide (PubChem CID 143076644) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide
PubChem CID143076644
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide
SMILESCCOCCN(C)C(=O)c1cccc(NC)c1O
InChIInChI=1S/C13H20N2O3/c1-4-18-9-8-15(3)13(17)10-6-5-7-11(14-2)12(10)16/h5-7,14,16H,4,8-9H2,1-3H3
InChIKeyMPHKRKIJOZQBSU-UHFFFAOYSA-N
XLogP1.54
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[2-ethoxyethyl(methyl)carbamoyl]benzoic acid
CID 81059788
N-(2-ethoxyethyl)-2-iodo-N,3-dimethylbenzamide
CID 103896465
N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
N-methyl-2-(methylamino)-N-pentylbenzamide
CID 61375902
4-chloro-N-(2-ethoxyethyl)-2-hydroxy-N-methylbenzamide
CID 81055002
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 81055211
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
N-(2-ethoxyethyl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 81056077
N-(2-ethoxyethyl)-6-fluoro-N-methylpyridine-2-carboxamide
CID 115498047
N-(2-ethoxyethyl)-2-hydrazinyl-N-methyl-5-(trifluoromethyl)benzamide
CID 81063071
N-methyl-2-(methylamino)-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 106916885

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide?
The IUPAC name of N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide (CID 143076644) is N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide?
The canonical SMILES for N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide is CCOCCN(C)C(=O)c1cccc(NC)c1O.
What is the InChIKey of N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide?
The InChIKey is MPHKRKIJOZQBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-9-8-15(3)13(17)10-6-5-7-11(14-2)12(10)16/h5-7,14,16H,4,8-9H2,1-3H3.
What are the key properties of N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide?
N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-hydroxy-N-methyl-3-(methylamino)benzamide is sourced from PubChem (CID 143076644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).