2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide

C13H20N2O3 — CID 54950309

IUPAC2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
SMILESCCOc1cccc(CNC(C)C(=O)NC)c1O
InChIInChI=1S/C13H20N2O3/c1-4-18-11-7-5-6-10(12(11)16)8-15-9(2)13(17)14-3/h5-7,9,15-16H,4,8H2,1-3H3,(H,14,17)
InChIKeyOWHZXNAPBBGMOS-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.01
Rot. Bonds6

About 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide

2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide (PubChem CID 54950309) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
PubChem CID54950309
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
SMILESCCOc1cccc(CNC(C)C(=O)NC)c1O
InChIInChI=1S/C13H20N2O3/c1-4-18-11-7-5-6-10(12(11)16)8-15-9(2)13(17)14-3/h5-7,9,15-16H,4,8H2,1-3H3,(H,14,17)
InChIKeyOWHZXNAPBBGMOS-UHFFFAOYSA-N
XLogP1.01
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615270
(2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]-N-methylpropanamide
CID 103923547
2-ethoxy-6-[(1-phenylethylamino)methyl]phenol
CID 43189900
2-[[1-(dimethylamino)propan-2-ylamino]methyl]-6-ethoxyphenol
CID 82938957
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]hexanoic acid
CID 82364615
2-ethoxy-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]phenol
CID 104854721
2-ethoxy-6-[[[(1R)-1-(2-methylphenyl)ethyl]amino]methyl]phenol
CID 28652801
(2R)-2-[(4-ethoxy-3-methoxyphenyl)methylamino]-N-methylpropanamide
CID 75494674
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-6-ethoxyphenol
CID 81378526
2-[(2-ethoxyphenyl)methylamino]-N-(2-methylpropyl)propanamide
CID 115591499
N-methyl-2-[(2-prop-2-enoxyphenyl)methylamino]propanamide
CID 54950815

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
The IUPAC name of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide (CID 54950309) is 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
The canonical SMILES for 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide is CCOc1cccc(CNC(C)C(=O)NC)c1O.
What is the InChIKey of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
The InChIKey is OWHZXNAPBBGMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-11-7-5-6-10(12(11)16)8-15-9(2)13(17)14-3/h5-7,9,15-16H,4,8H2,1-3H3,(H,14,17).
What are the key properties of 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide?
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide has a molecular weight of 252.31 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide is sourced from PubChem (CID 54950309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).