N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide

C12H18N2O3 — CID 62656877

IUPACN-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
SMILESCCNCCNC(=O)c1cccc(OC)c1O
InChIInChI=1S/C12H18N2O3/c1-3-13-7-8-14-12(16)9-5-4-6-10(17-2)11(9)15/h4-6,13,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyLWSUPQYTFLSYLI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.74
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide

N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide (PubChem CID 62656877) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
PubChem CID62656877
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide
SMILESCCNCCNC(=O)c1cccc(OC)c1O
InChIInChI=1S/C12H18N2O3/c1-3-13-7-8-14-12(16)9-5-4-6-10(17-2)11(9)15/h4-6,13,15H,3,7-8H2,1-2H3,(H,14,16)
InChIKeyLWSUPQYTFLSYLI-UHFFFAOYSA-N
XLogP0.74
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-2,6-dimethoxybenzamide
CID 62658406
2-hydroxy-N-[2-(methanesulfonamido)ethyl]-3-methoxybenzamide
CID 43420679
N-[3-(ethylamino)propyl]-2,3-dimethoxybenzamide
CID 43601624
2-hydroxy-3-methoxy-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 61149422
2-hydroxy-3-methoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 61460888
2-[(2-hydroxy-3-methoxybenzoyl)amino]ethyl carbamate
CID 83203383
2-hydroxy-N-[2-[(2-hydroxy-3-methoxyphenyl)methylamino]ethyl]benzamide;manganese
CID 67560329
N-(2-ethylbutyl)-2-hydroxy-3-methoxybenzamide
CID 115613558
2-ethoxy-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119508383
(2S)-2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006576
2-hydroxy-4-[(2-hydroxy-3-methoxybenzoyl)amino]butanoic acid
CID 114006239
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide (CID 62656877) is N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide is CCNCCNC(=O)c1cccc(OC)c1O.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide?
The InChIKey is LWSUPQYTFLSYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-13-7-8-14-12(16)9-5-4-6-10(17-2)11(9)15/h4-6,13,15H,3,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide?
N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide has a molecular weight of 238.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 62656877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).