4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide

C12H18N2O3 — CID 107074866

IUPAC4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
SMILESCCN(CCOC)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-3-14(6-7-17-2)12(16)9-4-5-10(13)11(15)8-9/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyAHNHPUCAMMSKSM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.08
Rot. Bonds5

About 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide

4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide (PubChem CID 107074866) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
PubChem CID107074866
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide
SMILESCCN(CCOC)C(=O)c1ccc(N)c(O)c1
InChIInChI=1S/C12H18N2O3/c1-3-14(6-7-17-2)12(16)9-4-5-10(13)11(15)8-9/h4-5,8,15H,3,6-7,13H2,1-2H3
InChIKeyAHNHPUCAMMSKSM-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-hydroxy-N,N-bis(2-methoxyethyl)benzamide
CID 107074165
4-amino-N-(2-cyanoethyl)-3-hydroxy-N-(2-methoxyethyl)benzamide
CID 107075274
3-amino-4-bromo-N-ethyl-N-(2-methoxyethyl)benzamide
CID 61443550
4-amino-3-hydroxy-N,N-dipropylbenzamide
CID 22411148
N-ethyl-4-methoxy-N-(2-methoxyethyl)-3-sulfamoylbenzamide
CID 65386486
4-amino-N-(2-ethoxyethyl)-N-ethyl-3-methoxybenzamide
CID 104782930
N-ethyl-4-hydrazinyl-N-(2-methoxyethyl)benzamide
CID 62248057
N-(2-chloroethyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107729074
4-amino-N-[2-(diethylamino)ethyl]-3-hydroxybenzamide
CID 18999797
3-amino-N-(2-ethoxyethyl)-N-ethyl-4-methoxybenzamide
CID 63697687
N-(3-amino-3-sulfanylidenepropyl)-3,4-dihydroxy-N-(2-methoxyethyl)benzamide
CID 107728389
methyl 3-[(3,4-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103957103

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide (CID 107074866) is 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide is CCN(CCOC)C(=O)c1ccc(N)c(O)c1.
What is the InChIKey of 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide?
The InChIKey is AHNHPUCAMMSKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-14(6-7-17-2)12(16)9-4-5-10(13)11(15)8-9/h4-5,8,15H,3,6-7,13H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide?
4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide has a molecular weight of 238.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-hydroxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 107074866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).