2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide

C10H14N2O — CID 118073272

IUPAC2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide
SMILES[2H]c1cc(C)ccc1N(C)C(=O)CN
InChIInChI=1S/C10H14N2O/c1-8-3-5-9(6-4-8)12(2)10(13)7-11/h3-6H,7,11H2,1-2H3/i5D
InChIKeyQXRHZMOXPPDAKV-UICOGKGYSA-N
MW179.24 g/mol
LogP0.92
Rot. Bonds2

About 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide

2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide (PubChem CID 118073272) has the molecular formula C10H14N2O and a molecular weight of 179.24 g/mol. Its IUPAC name is 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide
PubChem CID118073272
Molecular FormulaC10H14N2O
Molecular Weight179.24 g/mol
Exact Mass179.12
IUPAC Name2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide
SMILES[2H]c1cc(C)ccc1N(C)C(=O)CN
InChIInChI=1S/C10H14N2O/c1-8-3-5-9(6-4-8)12(2)10(13)7-11/h3-6H,7,11H2,1-2H3/i5D
InChIKeyQXRHZMOXPPDAKV-UICOGKGYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-methyl-N-(4-methylphenyl)acetamide
CID 22617441
2-amino-N-(3,5-dimethylphenyl)-N-methylacetamide
CID 28794396
2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
2-amino-N-methyl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 83538987
2-amino-N-methyl-N-(6-methyl-3-pyridinyl)acetamide
CID 134406408
2-[4-(aminomethyl)phenyl]-N-methyl-N-(4-methylphenyl)acetamide
CID 63590516
4-chloro-N-methyl-N-(4-methylphenyl)butanamide
CID 63308688
2-amino-N-(3,5-dichlorophenyl)-N-methylacetamide;hydrochloride
CID 130845065
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
diethyl 2-[2-(N,4-dimethylanilino)-2-oxoethyl]propanedioate
CID 135071381
2-amino-N-(2-bromo-4-methylphenyl)-N-methylacetamide
CID 28794580
3,3,3-trifluoro-N-methyl-N-(4-methylphenyl)propanamide
CID 141436970

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide (CID 118073272) is 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide is [2H]c1cc(C)ccc1N(C)C(=O)CN.
What is the InChIKey of 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide?
The InChIKey is QXRHZMOXPPDAKV-UICOGKGYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-8-3-5-9(6-4-8)12(2)10(13)7-11/h3-6H,7,11H2,1-2H3/i5D.
What are the key properties of 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide?
2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide has a molecular weight of 179.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-deuterio-4-methylphenyl)-N-methylacetamide is sourced from PubChem (CID 118073272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).