2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide

C12H18N2O4 — CID 4195

IUPAC2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)CN)c1
InChIInChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyPTKSEFOSCHHMPD-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.19
Rot. Bonds6

About 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide

2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide (PubChem CID 4195) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
PubChem CID4195
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
SMILESCOc1ccc(OC)c(C(O)CNC(=O)CN)c1
InChIInChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyPTKSEFOSCHHMPD-UHFFFAOYSA-N
XLogP-0.19
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
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N-(3-(2-hydroxy-5-methoxyphenyl)propyl)acetamide
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CID 46885283
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CID 46885284
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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide (CID 4195) is 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide is COc1ccc(OC)c(C(O)CNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
The InChIKey is PTKSEFOSCHHMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-8-3-4-11(18-2)9(5-8)10(15)7-14-12(16)6-13/h3-5,10,15H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of -0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 4195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).