2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide

C12H18N2O4 — CID 45359029

IUPAC2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide
SMILES[2H]C([2H])([2H])Oc1ccc(OC([2H])([2H])[2H])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)/i1D3,2D3
InChIKeyPTKSEFOSCHHMPD-WFGJKAKNSA-N
MW260.32 g/mol
LogP-0.19
Rot. Bonds8

About 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide

2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide (PubChem CID 45359029) has the molecular formula C12H18N2O4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide
PubChem CID45359029
Molecular FormulaC12H18N2O4
Molecular Weight260.32 g/mol
Exact Mass260.16
IUPAC Name2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide
SMILES[2H]C([2H])([2H])Oc1ccc(OC([2H])([2H])[2H])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)/i1D3,2D3
InChIKeyPTKSEFOSCHHMPD-WFGJKAKNSA-N
XLogP-0.19
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide;2,3-dihydroxybutanedioic acid
CID 138544619
2-bromo-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 139669776
1-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119719575
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119287235
2-amino-N-[2-(2,6-dimethoxyphenyl)-2-hydroxyethyl]acetamide
CID 86092021
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55654201
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508847
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-methoxy-5-phenylthiophene-2-carboxamide
CID 55853551
4-amino-5-chloro-N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-2-methoxybenzamide;hydrochloride
CID 119719615
1-[(2S)-2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]-3-(4-propan-2-ylphenyl)urea
CID 51944364
1-(3-chloro-4-methoxyphenyl)-3-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 55696560

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide (CID 45359029) is 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide is [2H]C([2H])([2H])Oc1ccc(OC([2H])([2H])[2H])c(C(O)CNC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide?
The InChIKey is PTKSEFOSCHHMPD-WFGJKAKNSA-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)/i1D3,2D3.
What are the key properties of 2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide?
2-amino-N-[2-[2,5-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide has a molecular weight of 260.32 g/mol, XLogP of -0.19, 8 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-bis(trideuteriomethoxy)phenyl]-2-hydroxyethyl]acetamide is sourced from PubChem (CID 45359029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).