2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide

C10H14N2O — CID 22841823

IUPAC2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide
SMILES[2H]C([2H])(Cc1ccccc1)NCC(N)=O
InChIInChI=1S/C10H14N2O/c11-10(13)8-12-7-6-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H2,11,13)/i7D2
InChIKeySRFNZJUMTYLFEO-RJSZUWSASA-N
MW180.25 g/mol
LogP0.30
Rot. Bonds5

About 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide

2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide (PubChem CID 22841823) has the molecular formula C10H14N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide
PubChem CID22841823
Molecular FormulaC10H14N2O
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide
SMILES[2H]C([2H])(Cc1ccccc1)NCC(N)=O
InChIInChI=1S/C10H14N2O/c11-10(13)8-12-7-6-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H2,11,13)/i7D2
InChIKeySRFNZJUMTYLFEO-RJSZUWSASA-N
XLogP0.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide?
The IUPAC name of 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide (CID 22841823) is 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide.
What is the SMILES notation for 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide?
The canonical SMILES for 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide is [2H]C([2H])(Cc1ccccc1)NCC(N)=O.
What is the InChIKey of 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide?
The InChIKey is SRFNZJUMTYLFEO-RJSZUWSASA-N. The full InChI is InChI=1S/C10H14N2O/c11-10(13)8-12-7-6-9-4-2-1-3-5-9/h1-5,12H,6-8H2,(H2,11,13)/i7D2.
What are the key properties of 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide?
2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide has a molecular weight of 180.25 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dideuterio-2-phenylethyl)amino]acetamide is sourced from PubChem (CID 22841823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).