3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide

C13H20N2O3 — CID 115676860

IUPAC3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide
SMILESCCOc1cc(CNC(C)CC(N)=O)ccc1O
InChIInChI=1S/C13H20N2O3/c1-3-18-12-7-10(4-5-11(12)16)8-15-9(2)6-13(14)17/h4-5,7,9,15-16H,3,6,8H2,1-2H3,(H2,14,17)
InChIKeyJMPRIDDWAZQYDP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.14
Rot. Bonds7

About 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide

3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide (PubChem CID 115676860) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide.

Molecular Properties

Compound Name3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide
PubChem CID115676860
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide
SMILESCCOc1cc(CNC(C)CC(N)=O)ccc1O
InChIInChI=1S/C13H20N2O3/c1-3-18-12-7-10(4-5-11(12)16)8-15-9(2)6-13(14)17/h4-5,7,9,15-16H,3,6,8H2,1-2H3,(H2,14,17)
InChIKeyJMPRIDDWAZQYDP-UHFFFAOYSA-N
XLogP1.14
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(but-3-yn-2-ylamino)methyl]-2-ethoxyphenol
CID 114415445
2-[(3-ethoxy-4-hydroxyphenyl)methylamino]pentanoic acid
CID 65055711
2-ethoxy-4-[(1-thiophen-3-ylpropan-2-ylamino)methyl]phenol
CID 61223190
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]-N-propan-2-ylpropanamide
CID 115581391
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
2-ethoxy-4-[[[(1S)-1-(furan-2-yl)ethyl]amino]methyl]phenol
CID 81403520
4-[[[(1R)-1-cycloheptylethyl]amino]methyl]-2-ethoxyphenol
CID 81390490
2-ethoxy-4-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenol
CID 43748484
4-[(2,3-dimethylbutylamino)methyl]-2-ethoxyphenol
CID 64570279
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
2-ethoxy-4-[(1-thiophen-3-ylethylamino)methyl]phenol
CID 55122352
2-ethoxy-4-[(hex-1-yn-3-ylamino)methyl]phenol
CID 106227055

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide?
The IUPAC name of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide (CID 115676860) is 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide.
What is the SMILES notation for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide?
The canonical SMILES for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide is CCOc1cc(CNC(C)CC(N)=O)ccc1O.
What is the InChIKey of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide?
The InChIKey is JMPRIDDWAZQYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-18-12-7-10(4-5-11(12)16)8-15-9(2)6-13(14)17/h4-5,7,9,15-16H,3,6,8H2,1-2H3,(H2,14,17).
What are the key properties of 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide?
3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide has a molecular weight of 252.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxy-4-hydroxyphenyl)methylamino]butanamide is sourced from PubChem (CID 115676860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).