N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide

C11H15NO3 — CID 54765059

IUPACN-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide
SMILES[2H]C([2H])([2H])Oc1ccc(CCNC=O)cc1OC([2H])([2H])[2H]
InChIInChI=1S/C11H15NO3/c1-14-10-4-3-9(5-6-12-8-13)7-11(10)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)/i1D3,2D3
InChIKeyWUZNVFUYFDVUIC-WFGJKAKNSA-N
MW215.28 g/mol
LogP0.99
Rot. Bonds8

About N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide

N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide (PubChem CID 54765059) has the molecular formula C11H15NO3 and a molecular weight of 215.28 g/mol. Its IUPAC name is N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide
PubChem CID54765059
Molecular FormulaC11H15NO3
Molecular Weight215.28 g/mol
Exact Mass215.14
IUPAC NameN-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide
SMILES[2H]C([2H])([2H])Oc1ccc(CCNC=O)cc1OC([2H])([2H])[2H]
InChIInChI=1S/C11H15NO3/c1-14-10-4-3-9(5-6-12-8-13)7-11(10)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)/i1D3,2D3
InChIKeyWUZNVFUYFDVUIC-WFGJKAKNSA-N
XLogP0.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide 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

N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
CID 87434130
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
CID 54765058
tert-butyl N-[2-[3-methoxy-4-(trideuteriomethoxy)phenyl]ethyl]carbamate
CID 178156317
[2-amino-5-(2-formamidoethyl)phenyl] carbamate
CID 123171973
2-(3,4-dimethoxyphenyl)ethylhydrazine
CID 18070259
N-(2-naphthalen-2-ylethyl)formamide
CID 12581518
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylbutane-1,3-diamine
CID 57009511
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60689759
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
2-(3,4-dimethoxyphenyl)-N-[(4-ethylphenyl)methyl]ethanamine;hydrochloride
CID 17290561
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide?
The IUPAC name of N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide (CID 54765059) is N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide.
What is the SMILES notation for N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide?
The canonical SMILES for N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide is [2H]C([2H])([2H])Oc1ccc(CCNC=O)cc1OC([2H])([2H])[2H].
What is the InChIKey of N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide?
The InChIKey is WUZNVFUYFDVUIC-WFGJKAKNSA-N. The full InChI is InChI=1S/C11H15NO3/c1-14-10-4-3-9(5-6-12-8-13)7-11(10)15-2/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)/i1D3,2D3.
What are the key properties of N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide?
N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide has a molecular weight of 215.28 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide is sourced from PubChem (CID 54765059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).