N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide

C12H18N2O3 — CID 79733239

IUPACN-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
SMILESCCNCCNC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-3-13-6-7-14-12(16)9-4-5-11(17-2)10(15)8-9/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyASSIRTHMNACFKR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.74
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide

N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 79733239) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
PubChem CID79733239
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
SMILESCCNCCNC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-3-13-6-7-14-12(16)9-4-5-11(17-2)10(15)8-9/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyASSIRTHMNACFKR-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

3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119505377
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
4-(2-amino-2-oxoethoxy)-N-[2-(ethylamino)ethyl]-3-methoxybenzamide;hydrochloride
CID 119505376
4-[(4-chlorophenyl)methoxy]-N-[2-(ethylamino)ethyl]-3-methoxybenzamide
CID 119509071
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide (CID 79733239) is N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide is CCNCCNC(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is ASSIRTHMNACFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-13-6-7-14-12(16)9-4-5-11(17-2)10(15)8-9/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide?
N-[2-(ethylamino)ethyl]-3-hydroxy-4-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]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79733239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).