2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide

C12H18N2O4 — CID 86092021

IUPAC2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide
SMILESCOc1cccc(OC)c1C(O)CNC(=O)CN
InChIInChI=1S/C12H18N2O4/c1-17-9-4-3-5-10(18-2)12(9)8(15)7-14-11(16)6-13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyVCGKSWVJMJGZLB-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.19
Rot. Bonds6

About 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide

2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide (PubChem CID 86092021) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide
PubChem CID86092021
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide
SMILESCOc1cccc(OC)c1C(O)CNC(=O)CN
InChIInChI=1S/C12H18N2O4/c1-17-9-4-3-5-10(18-2)12(9)8(15)7-14-11(16)6-13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyVCGKSWVJMJGZLB-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

Analyze 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]carbamate
CID 99909250
2-amino-N-[(2,6-dimethoxyphenyl)methyl]acetamide;hydrochloride
CID 20788707
2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
4-amino-N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]pentanamide
CID 120560553
2-amino-N-[2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-oxoethyl]acetamide
CID 81387632
2-amino-N-[2-(2,6-dichlorophenyl)propyl]acetamide
CID 119315000
2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide
CID 45359029
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254
N-(2-hydroxy-2-thiophen-2-ylethyl)-2,6-dimethoxybenzamide
CID 90500029
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide (CID 86092021) is 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide is COc1cccc(OC)c1C(O)CNC(=O)CN.
What is the InChIKey of 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
The InChIKey is VCGKSWVJMJGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-9-4-3-5-10(18-2)12(9)8(15)7-14-11(16)6-13/h3-5,8,15H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide?
2-amino-N-[2-(2,6-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-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 86092021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).