N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide

C13H20N2O3 — CID 112514063

IUPACN-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
SMILESCCOc1ccc(C(O)CNC)cc1NC(C)=O
InChIInChI=1S/C13H20N2O3/c1-4-18-13-6-5-10(12(17)8-14-3)7-11(13)15-9(2)16/h5-7,12,14,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyCLAFUYUEWHBWTR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.30
Rot. Bonds6

About N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide

N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide (PubChem CID 112514063) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
PubChem CID112514063
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
SMILESCCOc1ccc(C(O)CNC)cc1NC(C)=O
InChIInChI=1S/C13H20N2O3/c1-4-18-13-6-5-10(12(17)8-14-3)7-11(13)15-9(2)16/h5-7,12,14,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyCLAFUYUEWHBWTR-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide
CID 22161897
N-[2-methoxy-5-[1-methoxy-2-(methylamino)ethyl]phenyl]acetamide
CID 112514053
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
2-[2-(carboxymethoxy)-4-[1-hydroxy-2-(methylamino)ethyl]phenoxy]acetic acid
CID 70059281
N-[2-ethoxy-5-(2-oxopropyl)phenyl]acetamide
CID 96673990
N-[2-ethoxy-5-[2-hydroxy-1-(methylamino)propan-2-yl]phenyl]acetamide
CID 112513667
3-acetamido-4-ethoxybenzenesulfonic acid
CID 82483875
N-[5-[2-[2-(3-acetamido-4-methoxyphenyl)-2-hydroxyethyl]sulfonyl-1-hydroxyethyl]-2-methoxyphenyl]acetamide
CID 154379633
2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
CID 82315710
N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
CID 21453600
2-(3-acetamido-4-ethoxyphenyl)acetamide
CID 96674142
[4-[(1R)-1-hydroxy-2-(methylamino)ethyl]-2-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate
CID 163203538

Frequently Asked Questions

What is the IUPAC name of N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The IUPAC name of N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide (CID 112514063) is N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide.
What is the SMILES notation for N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The canonical SMILES for N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide is CCOc1ccc(C(O)CNC)cc1NC(C)=O.
What is the InChIKey of N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
The InChIKey is CLAFUYUEWHBWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-4-18-13-6-5-10(12(17)8-14-3)7-11(13)15-9(2)16/h5-7,12,14,17H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide?
N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide has a molecular weight of 252.31 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethoxy-5-[1-hydroxy-2-(methylamino)ethyl]phenyl]acetamide is sourced from PubChem (CID 112514063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).