N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide

C12H18N2O3 — CID 119765490

IUPACN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-13-8-12(16)14-7-11(15)9-4-3-5-10(6-9)17-2/h3-6,11,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyXJMUXRUHQRHNGU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.06
Rot. Bonds6

About N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide

N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide (PubChem CID 119765490) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
PubChem CID119765490
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide
SMILESCNCC(=O)NCC(O)c1cccc(OC)c1
InChIInChI=1S/C12H18N2O3/c1-13-8-12(16)14-7-11(15)9-4-3-5-10(6-9)17-2/h3-6,11,13,15H,7-8H2,1-2H3,(H,14,16)
InChIKeyXJMUXRUHQRHNGU-UHFFFAOYSA-N
XLogP0.06
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 ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
N-[2-(3-fluorophenyl)-2-hydroxyethyl]-2-(methylamino)acetamide
CID 119755074
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4,4-dimethylpentanamide
CID 111437211
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 111434813
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 111115615
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
3-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 110663372
3-(4-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]propanamide
CID 111115447
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The IUPAC name of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide (CID 119765490) is N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide is CNCC(=O)NCC(O)c1cccc(OC)c1.
What is the InChIKey of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
The InChIKey is XJMUXRUHQRHNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-13-8-12(16)14-7-11(15)9-4-3-5-10(6-9)17-2/h3-6,11,13,15H,7-8H2,1-2H3,(H,14,16).
What are the key properties of N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide?
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(methylamino)acetamide is sourced from PubChem (CID 119765490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).