N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide

C12H18N2O3 — CID 21325792

IUPACN-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1NCCO
InChIInChI=1S/C12H18N2O3/c1-3-17-12-5-4-10(14-9(2)16)8-11(12)13-6-7-15/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyNPKWBNMIEKWYHW-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.45
Rot. Bonds6

About N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide

N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide (PubChem CID 21325792) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide
PubChem CID21325792
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1NCCO
InChIInChI=1S/C12H18N2O3/c1-3-17-12-5-4-10(14-9(2)16)8-11(12)13-6-7-15/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16)
InChIKeyNPKWBNMIEKWYHW-UHFFFAOYSA-N
XLogP1.45
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2-dihydroxyethylamino)-4-ethoxyphenyl]acetamide
CID 21453600
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-(3-amino-4-ethoxyphenyl)acetamide
CID 28207
N-[3-(aminomethyl)-4-ethoxyphenyl]acetamide
CID 63755124
3-(5-acetamido-2-methoxyanilino)propanoic acid
CID 54299266
2-(5-acetamido-2-methoxyanilino)ethyl methyl carbonate
CID 54064584
N-[2-ethoxy-5-(hydroxymethyl)phenyl]acetamide
CID 82470650
N-[4-chloro-3-(5-hydroxypentylamino)phenyl]acetamide
CID 111770386
3-(5-bromo-2-ethoxyanilino)propan-1-ol
CID 84586742
N-[4-methoxy-3-(4-methylsulfanylbutylamino)phenyl]acetamide
CID 103087563
1-(5-bromo-2-ethoxyphenyl)-3-(2-hydroxyethyl)urea
CID 110930838
N-[2-(2-ethoxyanilino)ethyl]acetamide
CID 103604124

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide?
The IUPAC name of N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide (CID 21325792) is N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide?
The canonical SMILES for N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide is CCOc1ccc(NC(C)=O)cc1NCCO.
What is the InChIKey of N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide?
The InChIKey is NPKWBNMIEKWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-12-5-4-10(14-9(2)16)8-11(12)13-6-7-15/h4-5,8,13,15H,3,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide?
N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(2-hydroxyethylamino)phenyl]acetamide is sourced from PubChem (CID 21325792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).