2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide

C14H22N2O3 — CID 82978366

IUPAC2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide
SMILESCCOc1cccc(CN(CC(N)=O)C(C)C)c1O
InChIInChI=1S/C14H22N2O3/c1-4-19-12-7-5-6-11(14(12)18)8-16(10(2)3)9-13(15)17/h5-7,10,18H,4,8-9H2,1-3H3,(H2,15,17)
InChIKeyJRNTVOASRYBNPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.49
Rot. Bonds7

About 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide

2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide (PubChem CID 82978366) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide
PubChem CID82978366
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide
SMILESCCOc1cccc(CN(CC(N)=O)C(C)C)c1O
InChIInChI=1S/C14H22N2O3/c1-4-19-12-7-5-6-11(14(12)18)8-16(10(2)3)9-13(15)17/h5-7,10,18H,4,8-9H2,1-3H3,(H2,15,17)
InChIKeyJRNTVOASRYBNPZ-UHFFFAOYSA-N
XLogP1.49
TPSA75.79 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 ≤ 51.49
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-[(2-hydroxy-3-methylphenyl)methyl-propan-2-ylamino]acetamide
CID 112553358
methyl 2-[(3-ethoxy-2-hydroxyphenyl)methylamino]propanoate
CID 60780617
2-ethoxy-6-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976872
2-ethoxy-6-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenol
CID 82982222
2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
2-[cyclopropyl-[(3-ethoxy-2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057874
2-[(2-cyanophenyl)methyl-propan-2-ylamino]acetamide
CID 8559770
ethyl 2-cyano-3-(3-ethoxy-2-hydroxyphenyl)propanoate
CID 82350256
3-[(2-ethoxyphenyl)methyl-ethylamino]butanoic acid
CID 55122799
2-(4-amino-2-methylbutyl)-6-ethoxyphenol
CID 83930768
2-[(3-ethoxy-2-hydroxyphenyl)methylamino]-N-methylpropanamide
CID 54950309
2-ethoxy-6-[[3-methoxypropyl(methyl)amino]methyl]phenol
CID 82980151

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide (CID 82978366) is 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide is CCOc1cccc(CN(CC(N)=O)C(C)C)c1O.
What is the InChIKey of 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide?
The InChIKey is JRNTVOASRYBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-19-12-7-5-6-11(14(12)18)8-16(10(2)3)9-13(15)17/h5-7,10,18H,4,8-9H2,1-3H3,(H2,15,17).
What are the key properties of 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide?
2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-2-hydroxyphenyl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 82978366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).