2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide

C12H18N2O3 — CID 103104516

IUPAC2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
SMILESCCN(CC(N)=O)Cc1cc(OC)ccc1O
InChIInChI=1S/C12H18N2O3/c1-3-14(8-12(13)16)7-9-6-10(17-2)4-5-11(9)15/h4-6,15H,3,7-8H2,1-2H3,(H2,13,16)
InChIKeyLNDDDEOUFYZRON-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.71
Rot. Bonds6

About 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide

2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide (PubChem CID 103104516) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
PubChem CID103104516
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide
SMILESCCN(CC(N)=O)Cc1cc(OC)ccc1O
InChIInChI=1S/C12H18N2O3/c1-3-14(8-12(13)16)7-9-6-10(17-2)4-5-11(9)15/h4-6,15H,3,7-8H2,1-2H3,(H2,13,16)
InChIKeyLNDDDEOUFYZRON-UHFFFAOYSA-N
XLogP0.71
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.71
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

N-ethyl-2-[ethyl-[(2-hydroxy-4-methoxyphenyl)methyl]amino]acetamide
CID 82986658
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methoxyphenol
CID 79659872
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962
2-[(dimethylamino)methyl]-4-methoxyphenol
CID 12561113
4-methoxy-2-[[methyl(propyl)amino]methyl]phenol
CID 82977818
2-[[2-(dimethylamino)ethyl-propylamino]methyl]-4-methoxyphenol
CID 82979025
4-methoxy-2-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82977656
2-[[(3-amino-2,2-dimethylpropyl)-propylamino]methyl]-4-methoxyphenol
CID 79668470
2-[ethyl-[(4-hydroxyphenyl)methyl]amino]acetamide
CID 88657725
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxy-5-methoxybenzamide
CID 60779447
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
CID 103104513
2-[[2-ethoxyethyl(methyl)amino]methyl]-4-methoxyphenol
CID 82983680

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide (CID 103104516) is 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide is CCN(CC(N)=O)Cc1cc(OC)ccc1O.
What is the InChIKey of 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is LNDDDEOUFYZRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-14(8-12(13)16)7-9-6-10(17-2)4-5-11(9)15/h4-6,15H,3,7-8H2,1-2H3,(H2,13,16).
What are the key properties of 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide?
2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-hydroxy-5-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 103104516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).