N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide

C14H22N2O3 — CID 112688384

IUPACN,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1ccc(OC)cc1O
InChIInChI=1S/C14H22N2O3/c1-4-16(5-2)14(18)10-15-9-11-6-7-12(19-3)8-13(11)17/h6-8,15,17H,4-5,9-10H2,1-3H3
InChIKeyLSGFZKBBXROABE-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.36
Rot. Bonds7

About N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide

N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide (PubChem CID 112688384) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
PubChem CID112688384
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1ccc(OC)cc1O
InChIInChI=1S/C14H22N2O3/c1-4-16(5-2)14(18)10-15-9-11-6-7-12(19-3)8-13(11)17/h6-8,15,17H,4-5,9-10H2,1-3H3
InChIKeyLSGFZKBBXROABE-UHFFFAOYSA-N
XLogP1.36
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(ethylaminomethyl)-5-methoxyphenol
CID 39257600
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
N-[(2-hydroxy-4-methoxyphenyl)methyl]acetamide
CID 89189876
N,N-diethyl-2-[(2-fluorophenyl)methylamino]acetamide
CID 28582548
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
2-[(5-chloro-2-methoxyphenyl)methylamino]-N,N-diethylacetamide
CID 112687072
2-[(2-ethoxypropylamino)methyl]-5-methoxyphenol
CID 115655741
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
N,N-diethyl-2-[(2-methylphenyl)methylamino]acetamide
CID 60695385
2-[(2-aminoethylamino)methyl]-5-methoxyphenol
CID 61261958
2-[(cyclopropylmethylamino)methyl]-5-methoxyphenol
CID 61268390
2-hydroxy-3-[(2-hydroxy-4-methoxyphenyl)methylamino]propanamide
CID 106171414

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide (CID 112688384) is N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide is CCN(CC)C(=O)CNCc1ccc(OC)cc1O.
What is the InChIKey of N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide?
The InChIKey is LSGFZKBBXROABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-16(5-2)14(18)10-15-9-11-6-7-12(19-3)8-13(11)17/h6-8,15,17H,4-5,9-10H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide?
N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide is sourced from PubChem (CID 112688384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).